ChemSpider 2D Image | Methyl N-[(2-bromophenoxy){[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy}phosphoryl]alaninate | C20H23BrN3O8P

Methyl N-[(2-bromophenoxy){[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy}phosphoryl]alaninate

  • Molecular FormulaC20H23BrN3O8P
  • Average mass544.290 Da
  • Monoisotopic mass543.040588 Da
  • ChemSpider ID439120

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Alanine, N-[(2-bromophenoxy)[[(2S,5R)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy]phosphinyl]-, methyl ester [ACD/Index Name]
Methyl N-[(2-bromophenoxy){[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy}phosphoryl]alaninate [ACD/IUPAC Name]
Methyl-N-[(2-bromphenoxy){[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy}phosphoryl]alaninat [German] [ACD/IUPAC Name]
N-[(2-Bromophénoxy){[(2S,5R)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2,5-dihydro-2-furanyl]méthoxy}phosphoryl]alaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.19
ACD/KOC (pH 5.5): 156.73
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.12
ACD/KOC (pH 7.4): 155.45
Polar Surface Area: 142 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 359.4±3.0 cm3

Click to predict properties on the Chemicalize site


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