5-Azacytidine 5'-monophosphate supplier

Name
5'-azacytidine 5'-monophosphate
EINECS
CAS No. 2226-72-4
Density 2.33 g/cm³
Solubility
Melting Point >127°C (dec.)
Formula C₈H₁₃N₄O₈P
Boiling Point 668.5 °C at 760 mmHg
Molecular Weight 324.187
Flash Point 358.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazin-2(1H)-one,4-amino-1-b-D-ribofuranosyl-, 5'-(dihydrogenphosphate) (8CI);s-Triazin-2(1H)-one, 4-amino-1-b-D-ribofuranosyl-, 5'-phosphate (7CI);5-Azacytidine 5'-monophosphate;4-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one;
PSA 199.20000
LogP -2.01180

5-Azacytidine 5'-monophosphate Specification

The 1,3,5-Triazin-2(1H)-one,4-amino-1-(5-O-phosphono-b-D-ribofuranosyl)- with CAS registry number of 2226-72-4 is also known as 5-Azacytidine 5'-monophosphate. The systematic name and product name are the same. In addition, the formula is C₈H₁₃N₄O₈P and the molecular weight is 324.18. What's more, this chemical is used as a metabolite of 5-Azacytidine.

Physical properties about 1,3,5-Triazin-2(1H)-one,4-amino-1-(5-O-phosphono-b-D-ribofuranosyl)- are: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 12; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6; (9)Index of Refraction: 1.833; (10)Molar Refractivity: 61.03 cm³; (11)Molar Volume: 138.5 cm³; (12)Surface Tension: 142.8 dyne/cm; (13)Density: 2.33 g/cm³; (14)Flash Point: 358.1 °C; (15)Enthalpy of Vaporization: 112.45 kJ/mol; (16)Boiling Point: 668.5 °C at 760 mmHg; (17)Vapour Pressure: 9.99E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:}
1. SMILES: OP(O)(=O)OC[C@H]2O[C@@H](N1/C=N\C(\N)=N/C1=O)[C@H](O)[C@@H]2O
2. InChI: InChI=1/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m1/s1
3. InChIKey: WODABQYEPQRZOS-KVTDHHQDBT
4. Std. InChI: InChI=1S/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m1/s1
5. Std. InChIKey: WODABQYEPQRZOS-KVTDHHQDSA-N

Product Name

5'-azacytidine 5'-monophosphate

5-Azacytidine 5'-monophosphate Specification

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