ChemSpider 2D Image | 6-(4-Chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4(3H)-one | C24H22ClN2O7PS

6-(4-Chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC24H22ClN2O7PS
  • Average mass548.932 Da
  • Monoisotopic mass548.057373 Da
  • ChemSpider ID28648397

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-2-{4-[6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-2-methoxyphenoxy}-1-cyclopropylethyl dihydrogen phosphate [ACD/IUPAC Name]
(1R)-2-{4-[6-(4-Chlorphenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-2-methoxyphenoxy}-1-cyclopropylethyldihydrogenphosphat [German] [ACD/IUPAC Name]
1197420-06-6 [RN]
6-(4-Chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4(3H)-one
Dihydrogénophosphate de (1R)-2-{4-[6-(4-chlorophényl)-4-oxothiéno[3,2-d]pyrimidin-3(4H)-yl]-2-méthoxyphénoxy}-1-cyclopropyléthyle [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 6-(4-chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]- [ACD/Index Name]
BMS-830216

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

Density: 1.6±0.1 g/cm3
Boiling Point: 797.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.2±35.7 °C
Index of Refraction: 1.709
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

Click to predict properties on the Chemicalize site


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