![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-aon, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-aon, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-aon, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
Àireamh Clàraidh CAS
3736-77-4
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 226.19 | - |
| Rubha leaghaidh (Deuchainneach) | 234-235 °C | - |
| puing ghoil (ri dùil) | 456.3±55.0 °C | Brùth: 760 Torr |
| Dùmhlachd (Ro-innse) | 2.01 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr |
| pKa (Air a ro-innse) | 12.55±0.40 | Teòthachd as searbhach: 25 °C |
SMILES Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
SMILES Isomeric
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)(H])[H]
InChI
InChI = 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Iuchrach InChI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Ainmean eile air son an Fhois so
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2 ′,3′:4,5]oxazolo[3,2] -a] pyrimidin-6-one (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-aon, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI) , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-aon, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI);6H-Furo[2 ′,3 ′:4,5]oxazolo[3,2-a]
pyrimidin-6-aon, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8CI);2,2 ′ -Anhydro (1- β -D-arabinofuranosyl) uracil;2,2 ′ -Anhydro-1- β -D-arabino-furanosyluracil;2,2 ′ -Anhydro-N1-(β-D-arabinofuranosyl) uracil;2,2 ′ -Anhydrouridine;2,2 ′ -O-Cyclouridine;NSC 157148;O2,2′ -Anhydrouridine;O2,2 ′ - Cyclouridine;β -D-2′,2-O-Cycloarabinouridine
Togalaichean rim faighinn
Optical agus sgapaidh
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Cumhachd Rotatory Optical | -19 ceum | Fuasgladh: methanol;λ: 589.3 nm;Teòthachd: 26 °C | (1) CAS |
(1) Codington, Iain F. ;Iris Comann Ceimigeach Ameireaganach, (1961), 83, 5030-1, CAplus
| Seilbh | Luach | Staid | Stòr |
| Rubha leaghaidh | 250-253 ° C | (1) CAS | |
| Rubha leaghaidh | 246 °C | Fuasgladh: ethanol;Isopropanol | (2) CAS |
| Rubha leaghaidh | 242-245 °C | (3) CAS | |
| Rubha leaghaidh | 242-243 °C | (4) CAS | |
| Rubha leaghaidh | 236-238 ° C (decomp) | (5) CAS | |
| Rubha leaghaidh | 234°C | (6) CAS | |
| Rubha leaghaidh | 234-235 °C | (7) CAS | |
| Rubha leaghaidh | 233-234 ° C (decomp) | Fuasgladh: methanol | (8) CAS |
| Rubha leaghaidh | Faic an Teacs slàn | (9) CAS |
(1) Lin, Kun-I.;Iris Comann Ceimigeach Shìona (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi;Nucleosides, Nucleotides & Acids Niùclasach, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.;Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy;Nucleosides, Nucleotides & Acids Niùclasach, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji;Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena;Tetrahedron, (2003), 59(23), 4047-4057, CAplus
(7) Am Brùnach, DM;Iris a' Chomainn Cheimigeach, (1958), 3035-8, CAplus
(8) Li, Heting;Synthetic Communications, (2006), 36(14), 1933-1940, CAplus
(9) Codington, Iain F. ;Iris Comann Ceimigeach Ameireaganach, (1961), 83, 5030-1, CAplus
Spectra ri fhaighinn
1 H NMR
13 C NMR
IR
Spectra ri fhaighinn
Aifreann
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar Co-cheangailte
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 1.0 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 10;Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Còc | 7.66 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.66 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 7.66 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.64 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 3;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | -0.91 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | -0.906±0.555 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 4.7 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 g/L | Uisge gun bhacadh pH 6.91;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 0.021 mol / L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 0.021 mol / L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol / L | Uisge gun bhacadh pH 6.91;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 226.19 | ||
| pKa | 12.55±0.40 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | -4.68±0.60 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
| Brùthadh vapor | 3.04 x 10-10 Torr | Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 2.01 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 112.3 ± 7.0 cm3 / mol | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 3 | (1) ACD | |
| H Luchd-gabhail | 7 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 9 | (1) ACD | |
| logP | -0.906±0.555 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 226.19 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr suidheachadh |
| Raon uachdar Polar | 91.6 A2 | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Rubha Goil | 456.3±55.0 °C | Brùth: 760 Torr | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Enthalpy vaporization | 82.62 ± 6.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Flash puing | 229.8±31.5 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1 H NMR
13 C NMR
| Stòr Aithris Cunnart Còd | |
| H302 Doirbh ma shluigear e | Seòrsachadh & Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA). Clàr-stuthan - Seòrsachadh agus bileagan fiosraichte - na fiosan as cumanta, Buidheann Ceimigeach na h-Eòrpa (ECHA) Clàr Seòrsachadh & Labeling - Seòrsachadh fiosraichte agus bileagan - na fiosan as miosa |
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