ChemSpider 2D Image | 9-[(3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one | C10H11N4O7P

9-[(3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H11N4O7P
  • Average mass330.191 Da
  • Monoisotopic mass330.036530 Da
  • ChemSpider ID35032088

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

15569-30-9 [RN]
6H-Purin-6-one, 3,9-dihydro-9-[(3aR,4R,6R,6aR)-tetrahydro-2-hydroxy-6-(hydroxymethyl)-2-oxidofuro[3,4-d]-1,3,2-dioxaphosphol-4-yl]- [ACD/Index Name]
9-[(3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[(3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-[(3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxyméthyl)-2-oxydotétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2',3' Cyclic IMP
9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-3H-purin-6-one
9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-6,9-dihydro-3H-purin-6-one
Inosine 2',3'-cyclic phosphate
Inosine cyclic 2,3 monophosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point: 737.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.7±35.7 °C
Index of Refraction: 1.982
Molar Refractivity: 66.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 154 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 149.6±7.0 dyne/cm
Molar Volume: 133.6±7.0 cm3

Click to predict properties on the Chemicalize site


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