ChemSpider 2D Image | (2R)-2-{(4R,5S)-5-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-(formyloxy)ethyl benzoate | C26H25N3O8

(2R)-2-{(4R,5S)-5-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-(formyloxy)ethyl benzoate

  • Molecular FormulaC26H25N3O8
  • Average mass507.492 Da
  • Monoisotopic mass507.164154 Da
  • ChemSpider ID30658610

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-{(4R,5S)-5-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-(formyloxy)ethyl benzoate [ACD/IUPAC Name]
(2R)-2-{(4R,5S)-5-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-(formyloxy)ethyl-benzoat [German] [ACD/IUPAC Name]
Benzamide, N-[1-[(4S,5R)-5-[(1R)-2-(benzoyloxy)-1-(formyloxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- [ACD/Index Name]
Benzoate de (2R)-2-{(4R,5S)-5-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-2,2-diméthyl-1,3-dioxolan-4-yl}-2-(formyloxy)éthyle [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: 1.617
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 134.77
ACD/KOC (pH 5.5): 1160.13
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 112.86
ACD/KOC (pH 7.4): 971.53
Polar Surface Area: 133 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 375.4±7.0 cm3

Click to predict properties on the Chemicalize site


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