ChemSpider 2D Image | 9-[(4aR,6R,7R,7aS)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purine-2,6-diol | C10H11N4O8P

9-[(4aR,6R,7R,7aS)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purine-2,6-diol

  • Molecular FormulaC10H11N4O8P
  • Average mass346.190 Da
  • Monoisotopic mass346.031464 Da
  • ChemSpider ID57270115
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

9-[(4aR,6R,7R,7aS)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-2,6-diol [German] [ACD/IUPAC Name]
9-[(4aR,6R,7R,7aS)-2,7-Dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purine-2,6-diol [ACD/IUPAC Name]
9-[(4aR,6R,7R,7aS)-2,7-Dihydroxy-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purine-2,6-diol [French] [ACD/IUPAC Name]
9H-Purine-2,6-diol, 9-[(4aR,6R,7R,7aS)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
31319-70-7 [RN]
XANTHOSINE 3',5'-CYCLIC MONOPHOSPHATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 838.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 460.9±37.1 °C
Index of Refraction: 2.033
Molar Refractivity: 66.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 1
#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: 179 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 170.5±7.0 dyne/cm
Molar Volume: 130.8±7.0 cm3

Click to predict properties on the Chemicalize site






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