ChemSpider 2D Image | Butyl N-[(4-chlorophenoxy){[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}phosphoryl]-L-alaninate | C22H29ClN3O9P

Butyl N-[(4-chlorophenoxy){[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}phosphoryl]-L-alaninate

  • Molecular FormulaC22H29ClN3O9P
  • Average mass545.907 Da
  • Monoisotopic mass545.132996 Da
  • ChemSpider ID34531427

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Butyl N-[(4-chlorophenoxy){[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}phosphoryl]-L-alaninate [ACD/IUPAC Name]
Butyl-N-[(4-chlorphenoxy){[(2R,4R)-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy}phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(4-chlorophenoxy)[[(2R,4R)-4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]methoxy]phosphinyl]-, butyl ester [ACD/Index Name]
N-[(4-Chlorophénoxy){[(2R,4R)-4-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl]méthoxy}phosphoryl]-L-alaninate de butyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.42
ACD/KOC (pH 5.5): 362.55
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.18
ACD/KOC (pH 7.4): 359.33
Polar Surface Area: 152 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 402.4±3.0 cm3

Click to predict properties on the Chemicalize site


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