C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

hua

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

22423-26-3

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 240.21 -
Ira Whakarewa (Whakamatau) 218 °C Wairewa: Ewaro;Isopropanol
Ira Kohua (I Matapaetia) 452.0±55.0 °C Perehi: 760 Torr
Kiato (I Matapaetia) 1.88±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr
pKa (I Matapaetia) 12.56±0.60 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

NGĀ ATA KANONA

O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO

NGĀ ATA ISOMERIKA

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

Kī InChI

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Ētahi atu Ingoa mō tēnei Matū

(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-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-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl- (6CI, 7CI, 8CI);6H-Furo

[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);

11: PN: US20040014699 PAGE: 18 i kii te DNA;12: PN: US20040005565 PAGE: 17- 22 i kii te DNA;12: PN: US20040005570 PAGE: 18 i kii te DNA;12: PN: US20040006029 PAGE: 21 i kii te DNA;12: PN: US20040014051 PAGE: 21 i kii te DNA;1: PN: WO20050 06958 PAGE: 59 i kii te DNA;2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil;3: PN: WO2005007825 PAGE: 59 i kii te DNA;84: PN: US20040005707 PAGE: 18 i kii te DNA;9: PN: US20040014048 PAGE: 19 i kii te DNA;9: PN: US20040014049 PAGE: 19

i kii te DNA;O2,2′ -Anhydro-5-methyluridine;O2,2′ -Anhydro-5-methyluridine;TK 112690

Ngā Āhuatanga Whakamātautau

Nga rawa e waatea ana
Ngawha

Ngawha

Taonga Uara Tikanga Puna
Te Whakarewarewa 240-242 °C (1) CAS
Te Whakarewarewa 218 °C Wairewa: Ewaro;Isopropanol (2) CAS
Te Whakarewarewa Tirohia te Kuputuhi Katoa (3) CAS
Te Whakarewarewa Tirohia te Kuputuhi Katoa (4) CAS

(1) Oliveira, Maralise P.;Journal of the Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus

(2) Takatsuki, Ken-ichi;Nucleosides, Nucleotides & Nucleic acids, (2006), 25(7), 719-734, CAplus

(3) Manoharan, Mutia;US20030088079, A1, 2003, CAplus

(4) Miraglia, Loren J.;WO2003048315, A2, 2003, CAplus

Spectra Whakamatau

Kei te waatea te Spectra
1 H NMR
13 C NMR
Hetero NMR
Mass

Nga Taonga Matapae

Nga rawa e waatea ana
Koiora
Te matū
Kiato
Lipinski
Hanganga e Pa ana
Ngawha

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 1.0 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 10;Te Mahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 12.9 pH 1;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 2;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 3;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 4;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 5;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 6;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 7;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 8;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 9;Te Mahana: 25 °C (1) ACD
Koc 12.9 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 1;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 2;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD -0.49 pH 10;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
rangitakiP -0.491±0.556 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 3.1 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 g/L Te Wai Whakakore pH 6.94;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 0.013 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 10;Te Mahana: 25 °C (1) ACD
Molar Solubility 0.013 mol/L Te Wai Whakakore pH 6.94;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 240.21    
pKa 12.56±0.60 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa -4.36±0.60 Te Mahana Matua: 25 °C (1) ACD
Pehenga Kohu 4.54 x 10-10 Torr Te Mahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Taonga Uara Tikanga Puna
Kiato 1.88±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD
Rōrahi Moara 127.5±7.0 cm3/mol Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 3   (1) ACD
H Nga Kaiwhiwhi 7   (1) ACD
H Nga Kaituku 2   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 9   (1) ACD
rangitakiP -0.491±0.556 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 240.21    

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara Puna Tikanga
Rohe Mata Polar 91.6 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Ngawha

Taonga Uara Tikanga Puna
Kohuatanga 452.0±55.0 °C Perehi: 760 Torr (1) ACD
Enthalpy of Vaporization 82.04±6.0 kJ/mol Perehi: 760 Torr (1) ACD
Tohu Kohiko 227.2±31.5 °C   (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra ⁿ
1 H NMR
13 C NMR


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