ChemSpider 2D Image | {[(2R,4S)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pyrrolidinyl]carbonyl}phosphonic acid | C11H16N3O7P

{[(2R,4S)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pyrrolidinyl]carbonyl}phosphonic acid

  • Molecular FormulaC11H16N3O7P
  • Average mass333.234 Da
  • Monoisotopic mass333.072571 Da
  • ChemSpider ID24650285

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{[(2R,4S)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pyrrolidinyl]carbonyl}phosphonic acid [ACD/IUPAC Name]
{[(2R,4S)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pyrrolidinyl]carbonyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[(2R,4S)-2-(hydroxyméthyl)-4-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pyrrolidinyl]carbonyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(2R,4S)-4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -7.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 80.5±3.0 dyne/cm
Molar Volume: 203.7±3.0 cm3

Click to predict properties on the Chemicalize site


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