ChemSpider 2D Image | (5S)-5-[(2,6-Diamino-9H-purin-9-yl)methyl]-1,4,2-dioxaphosphinan-2-ol 2-oxide | C9H13N6O4P

(5S)-5-[(2,6-Diamino-9H-purin-9-yl)methyl]-1,4,2-dioxaphosphinan-2-ol 2-oxide

  • Molecular FormulaC9H13N6O4P
  • Average mass300.211 Da
  • Monoisotopic mass300.073578 Da
  • ChemSpider ID26365196

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S) 2-Oxyde de 5-[(2,6-diamino-9H-purin-9-yl)méthyl]-1,4,2-dioxaphosphinan-2-ol [French] [ACD/IUPAC Name]
(5S)-5-[(2,6-Diamino-9H-purin-9-yl)methyl]-1,4,2-dioxaphosphinan-2-ol 2-oxide [ACD/IUPAC Name]
(5S)-5-[(2,6-Diamino-9H-purin-9-yl)methyl]-1,4,2-dioxaphosphinan-2-ol-2-oxid [German] [ACD/IUPAC Name]
9H-Purine-2,6-diamine, 9-[[(5S)-2-hydroxy-2-oxido-1,4,2-dioxaphosphorinan-5-yl]methyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 717.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 388.0±35.7 °C
Index of Refraction: 1.904
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#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: 161 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 129.4±7.0 dyne/cm
Molar Volume: 138.5±7.0 cm3

Click to predict properties on the Chemicalize site


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