ChemSpider 2D Image | Terutroban | C20H22ClNO4S

Terutroban

  • Molecular FormulaC20H22ClNO4S
  • Average mass407.911 Da
  • Monoisotopic mass407.095795 Da
  • ChemSpider ID32807563

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-[[(4-Chlorophenyl)sulfonyl]amino]-5,6,7,8-tetrahydro-2-methyl-1-Naphthalenepropanoic acid
(R)-6-[[(4-Chlorophenyl)sulfonyl]amino]-5,6,7,8-tetrahydro-2-methyl-1-Naphthalenepropanoic acid
165538-40-9 [RN]
1-Naphthalenepropanoic acid, 6-[[(4-chlorophenyl)sulfonyl]amino]-5,6,7,8-tetrahydro-2-methyl-, (6S)- [ACD/Index Name]
3-[(6S)-6-{[(4-Chlorophenyl)sulfonyl]amino}-2-methyl-5,6,7,8-tetrahydro-1-naphthalenyl]propanoic acid [ACD/IUPAC Name]
3-[(6S)-6-{[(4-Chlorphenyl)sulfonyl]amino}-2-methyl-5,6,7,8-tetrahydro-1-naphthalinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(6S)-6-{[(4-chlorophényl)sulfonyl]amino}-2-méthyl-5,6,7,8-tétrahydro-1-naphtalényl]propanoïque [French] [ACD/IUPAC Name]
S18886
Terutroban [Wiki]
165537-74-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.7±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 356.81
ACD/KOC (pH 5.5): 1244.69
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 5.61
ACD/KOC (pH 7.4): 19.55
Polar Surface Area: 92 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement