ChemSpider 2D Image | (1E,3R,4S,6R)-6-(Benzyloxy)-4-hydroxy-3-methyl-1-(phenylsulfonyl)-1,8-nonadien-1-yl diisopropylcarbamate | C30H41NO6S

(1E,3R,4S,6R)-6-(Benzyloxy)-4-hydroxy-3-methyl-1-(phenylsulfonyl)-1,8-nonadien-1-yl diisopropylcarbamate

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID9539687

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1E,3R,4S,6R)-6-(Benzyloxy)-4-hydroxy-3-methyl-1-(phenylsulfonyl)-1,8-nonadien-1-yl diisopropylcarbamate [ACD/IUPAC Name]
(1E,3R,4S,6R)-6-(Benzyloxy)-4-hydroxy-3-methyl-1-(phenylsulfonyl)-1,8-nonadien-1-yl-diisopropylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(1-methylethyl)-, (1E,3R,4S,6R)-4-hydroxy-3-methyl-6-(phenylmethoxy)-1-(phenylsulfonyl)-1,8-nonadien-1-yl ester [ACD/Index Name]
Diisopropylcarbamate de (1E,3R,4S,6R)-6-(benzyloxy)-4-hydroxy-3-méthyl-1-(phénylsulfonyl)-1,8-nonadién-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8874.81
ACD/KOC (pH 5.5): 23317.53
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8874.80
ACD/KOC (pH 7.4): 23317.53
Polar Surface Area: 102 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 477.5±3.0 cm3

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