ChemSpider 2D Image | Methyl 4-[(2S,4S)-6-[cyclohexyl(methyl)carbamoyl]-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate | C32H42N2O9S

Methyl 4-[(2S,4S)-6-[cyclohexyl(methyl)carbamoyl]-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate

  • Molecular FormulaC32H42N2O9S
  • Average mass630.749 Da
  • Monoisotopic mass630.261108 Da
  • ChemSpider ID5100866

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(2S,4S)-6-[Cyclohexyl(méthyl)carbamoyl]-2-(2-{(2-hydroxyéthyl)[(4-méthoxyphényl)sulfonyl]amino}éthoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2S,4S)-6-[(cyclohexylmethylamino)carbonyl]-3,4-dihydro-2-[2-[(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino]ethoxy]-2H-pyran-4-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[(2S,4S)-6-[cyclohexyl(methyl)carbamoyl]-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[(2S,4S)-6-[cyclohexyl(methyl)carbamoyl]-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-3,4-dihydro-2H-pyran-4-yl]benzoat [German] [ACD/IUPAC Name]
DHPC1.1_000939
DHPC1.1_000944

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

DHPC1_001975 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 813.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.607
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 701.87
ACD/KOC (pH 5.5): 3792.73
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 701.87
ACD/KOC (pH 7.4): 3792.73
Polar Surface Area: 140 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 477.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement