ChemSpider 2D Image | {(2S,3S)-3-[(1R)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyethoxy]-2,4-dihydroxybutyl}phosphonic acid | C10H17N2O9P

{(2S,3S)-3-[(1R)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyethoxy]-2,4-dihydroxybutyl}phosphonic acid

  • Molecular FormulaC10H17N2O9P
  • Average mass340.224 Da
  • Monoisotopic mass340.067169 Da
  • ChemSpider ID34221067

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2S,3S)-3-[(1R)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyethoxy]-2,4-dihydroxybutyl}phosphonic acid [ACD/IUPAC Name]
{(2S,3S)-3-[(1R)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyethoxy]-2,4-dihydroxybutyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {(2S,3S)-3-[(1R)-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyéthoxy]-2,4-dihydroxybutyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(2S,3S)-3-[(1R)-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-2-hydroxyethoxy]-2,4-dihydroxybutyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -6.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 94.4±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

Click to predict properties on the Chemicalize site


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