ChemSpider 2D Image | Methyl 2-({[(5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](phenoxy)phosphoryl}amino)propanoate | C21H25BrN3O9P

Methyl 2-({[(5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](phenoxy)phosphoryl}amino)propanoate

  • Molecular FormulaC21H25BrN3O9P
  • Average mass574.316 Da
  • Monoisotopic mass573.051147 Da
  • ChemSpider ID19239493
  • Double-bond stereo - Double-bond stereo


More details:






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

2-({[(5-{5-[(E)-2-Bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytétrahydro-2-furanyl)méthoxy](phénoxy)phosphoryl}amino)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-({[(5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](phenoxy)phosphoryl}amino)propanoate [ACD/IUPAC Name]
Methyl-2-({[(5-{5-[(E)-2-bromvinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](phenoxy)phosphoryl}amino)propanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 75.38
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 67.59
Polar Surface Area: 163 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

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