Found 2 results

Search term: MF = 'C_{12}H_{20}N_{5}O_{8}P'
ChemSpider 2D Image | {[(2S)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(2,3-dihydroxypropoxy)propoxy]methyl}phosphonic acid | C12H20N5O8P

{[(2S)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(2,3-dihydroxypropoxy)propoxy]methyl}phosphonic acid

  • Molecular FormulaC12H20N5O8P
  • Average mass393.290 Da
  • Monoisotopic mass393.104950 Da
  • ChemSpider ID129303285

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{[(2S)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(2,3-dihydroxypropoxy)propoxy]methyl}phosphonic acid [ACD/IUPAC Name]
{[(2S)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(2,3-dihydroxypropoxy)propoxy]methyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(2,3-dihydroxypropoxy)propoxy]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(2S)-3-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-(2,3-dihydroxypropoxy)propoxy]methyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -6.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 98.1±7.0 dyne/cm
Molar Volume: 207.6±7.0 cm3

Click to predict properties on the Chemicalize site


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