ChemSpider 2D Image | virenamide B | C30H38N4O2S

virenamide B

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID8589715

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-(1,1-dimethyl-2-propen-1-yl)-L-phenylalanyl-N-[(1S)-2-methyl-1-(2-thiazolyl)propyl]- [ACD/Index Name]
N-(2-Methyl-3-buten-2-yl)-L-phenylalanyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(2-Methyl-3-buten-2-yl)-L-phenylalanyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-(2-Méthyl-3-butén-2-yl)-L-phénylalanyl-N-[(1S)-2-méthyl-1-(1,3-thiazol-2-yl)propyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
virenamide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 284.67
ACD/KOC (pH 5.5): 944.07
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3366.30
ACD/KOC (pH 7.4): 11163.68
Polar Surface Area: 111 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 458.7±3.0 cm3

Click to predict properties on the Chemicalize site


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