C10H12N2O5 6H-Fúró[2′,3′:4,5]ocsasóló[3,2-a]pirimidín-6-ón, 2,3,3a,9a-teitreal hidró-3-hiodrocsa-2-(hiodrocsameitil)-7-meitil-, (2R,3R,3aS,9aR)- (9CI, ACI)
Uimhir Chlárúcháin CAS
22423-26-3
Príomhairíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 240.21 | - |
Pointe Leá (Turgnamhach) | 218°C | Tuaslagóir: Eatánól; Isopropanól |
Fiuchphointe (Tuartha) | 452.0±55.0 °C | Brúigh: 760 Torr |
Dlús (Tuartha) | 1.88±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
pKa (Tuartha) | 12.56±0.60 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Gáirí Isiméireacha
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@H]1CO)[H])[H]
InChI
InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
Eochair InChI
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Ainm Eile don tSubstaint seo
(2R,3 R,3aS,9aR)-2,3,3a,9a-Teitreahidre-3-hiodrocsa-2-(hiodrocsameitil)-7-meitil-6H-furó[2′,3′:4,5]furó[3,2-a]pirimidín-6-ón (ACI);
6H-Furó[2′,3′:4,5]oxazolo[3,2-a]pirimidín-6-ón, 2,3,3a,9a-teitreahiodro-3-hiodrocsa-2-(hiodrocsameitil)-7-meitil- (6CI, 7CI, 8CI); 6H-Fúró
[2′,3′:4,5]ocsaló[3,2-a]pirimidín-6-ón, 2,3,3a,9a-teitreahidre-3-hiodrocsa-2-(hiodrocsameitil)-7-meitil-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: Uimhir aitheantais: US20040014699 LEATHANACH: 18 ADN éilithe; 12: Uimhir aitheantais: US20040005565 LEATHANACH: 17-22 ADN éilithe; 12: Uimhir aitheantais: US20040005570 LEATHANACH: 18 ADN éilithe; 12: Uimhir aitheantais: US20040006029 LEATHANACH: 21 ADN éilithe; 12: Uimhir aitheantais: US20040014051 LEATHANACH: 21 ADN éilithe; 1: Uimhir aitheantais: WO20050 06958 LEATHANACH: 59 ADN éilithe; 2,2′-Anhidrea(1-β-D-arabinofuranosil)-5-meitilúraicil; 3: Uimhir aitheantais: WO2005007825 LEATHANACH: 59 ADN éilithe; 84: Uimhir PN: US20040005707 LEATHANACH: 18 ADN éilithe; 9: Uimhir PN: US20040014048 LEATHANACH: 19 ADN éilithe; 9: Uimhir PN: US20040014049 LEATHANACH: 19
DNA éilithe;O2,2′-Anhidreo-5-meitilúiridín; O2,2′-Anhidreo-5-meitilúiridín; TK 112690
Maoine atá ar fáil
Teirmeach
Maoin | Luach | Coinníoll | Foinse |
Pointe Leá | 240-242 °C | (1) CAS | |
Pointe Leá | 218°C | Tuaslagóir: Eatánól; Isopropanól | (2) CAS |
Pointe Leá | Féach an Téacs Iomlán | (3) CAS | |
Pointe Leá | Féach an Téacs Iomlán | (4) CAS |
(1) Oliveira, Maralise P.; Iris Chumann Ceimiceach na Brasaíle, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Núicléasídí, Núicléatídí & Aigéid Núicléacha, (2006), 25(7), 719-734, CAplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Speictrim ar fáil
1H NMR
13C NMR
NMR heitreató
Aifreann
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Dlús
Lipinski
Struchtúr Gaolmhar
Teirmeach
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bith-thiúchana | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Koc | 12.9 | pH 1; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Teocht: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Teocht: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
logP | -0.491±0.556 | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mais | 3.1 g/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 g/L | Uisce Gan Maolán pH 6.94; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mhólar | 0.013 móil/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 0.013 móil/L | Uisce Gan Maolán pH 6.94; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 240.21 | ||
pKa | 12.56±0.60 | Teocht is Aigéadaí: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
Brú Gaile | 4.54 x 10-10 Torr | Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Dlús | 1.88±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
Toirt Mhólach | 127.5±7.0 cm3/mol | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Bannaí Rothlach Saor in Aisce | 3 | (1) ACD | |
Glacadóirí H | 7 | (1) ACD | |
Deontóirí H | 2 | (1) ACD | |
Suim an Deontóra/Glacadóra H | 9 | (1) ACD | |
logP | -0.491±0.556 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 240.21 |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Foinse Coinníoll |
Achar Dromchla Polach | 91.6 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Fiuchphointe | 452.0±55.0 °C | Brúigh: 760 Torr | (1) ACD |
Eintalpacht Galúcháin | 82.04±6.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
Pointe Splanc | 227.2±31.5 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim ar fáil ⁿ
1H NMR
13C NMR