ChemSpider 2D Image | (9S)-10,11-Didehydro-9,11',12,12',15,15'-hexahydro-beta,beta-carotene | C40H60

(9S)-10,11-Didehydro-9,11',12,12',15,15'-hexahydro-β,β-carotene

  • Molecular FormulaC40H60
  • Average mass540.904 Da
  • Monoisotopic mass540.469482 Da
  • ChemSpider ID61715040

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-10,11-Didehydro-9,11',12,12',15,15'-hexahydro-β,β-carotene [ACD/IUPAC Name]
(9S)-10,11-Didéhydro-9,11',12,12',15,15'-hexahydro-β,β-carotène [French] [ACD/IUPAC Name]
(9S)-10,11-Didehydro-9,11',12,12',15,15'-hexahydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 10,11-didehydro-9,11',12,12',15,15'-hexahydro-, (9S)- [ACD/Index Name]
BCR
β-Carotene [Wiki]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 607.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±0.8 kJ/mol
Flash Point: 330.4±19.8 °C
Index of Refraction: 1.547
Molar Refractivity: 183.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 15.85
ACD/LogD (pH 5.5): 14.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 579.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement