ChemSpider 2D Image | (1R,6S,8R,9R)-8-(6-Amino-9H-purin-9-yl)-2,4,7-trioxa-3-phosphabicyclo[4.2.1]nonane-3,9-diol 3-oxide | C10H12N5O6P

(1R,6S,8R,9R)-8-(6-Amino-9H-purin-9-yl)-2,4,7-trioxa-3-phosphabicyclo[4.2.1]nonane-3,9-diol 3-oxide

  • Molecular FormulaC10H12N5O6P
  • Average mass329.206 Da
  • Monoisotopic mass329.052521 Da
  • ChemSpider ID57270269

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,6S,8R,9R) 3-Oxyde de 8-(6-amino-9H-purin-9-yl)-2,4,7-trioxa-3-phosphabicyclo[4.2.1]nonane-3,9-diol [French] [ACD/IUPAC Name]
(1R,6S,8R,9R)-8-(6-Amino-9H-purin-9-yl)-2,4,7-trioxa-3-phosphabicyclo[4.2.1]nonan-3,9-diol-3-oxid [German] [ACD/IUPAC Name]
(1R,6S,8R,9R)-8-(6-Amino-9H-purin-9-yl)-2,4,7-trioxa-3-phosphabicyclo[4.2.1]nonane-3,9-diol 3-oxide [ACD/IUPAC Name]
2,4,7-Trioxa-3-phosphabicyclo[4.2.1]nonan-9-ol, 8-(6-amino-9H-purin-9-yl)-3-hydroxy-, 3-oxide, (1R,6S,8R,9R)- [ACD/Index Name]
25406-55-7 [RN]
9-(2,5-O-PHOSPHINICO-D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE

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

Density: 2.5±0.1 g/cm3
Boiling Point: 701.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 2.012
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 11
#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: 165 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 153.8±7.0 dyne/cm
Molar Volume: 133.1±7.0 cm3

Click to predict properties on the Chemicalize site


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