ChemSpider 2D Image | (6'S,9R,13S)-4',5'-Didehydro-5',6',7,7',8,8',9,10,13,14-decahydro-beta,beta-carotene | C40H64

(6'S,9R,13S)-4',5'-Didehydro-5',6',7,7',8,8',9,10,13,14-decahydro-β,β-carotene

  • Molecular FormulaC40H64
  • Average mass544.936 Da
  • Monoisotopic mass544.500793 Da
  • ChemSpider ID61714387

  • Double-bond stereo - Double-bond stereo

More details:

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

(6'S,9R,13S)-4',5'-Didehydro-5',6',7,7',8,8',9,10,13,14-decahydro-β,β-carotene [ACD/IUPAC Name]
(6'S,9R,13S)-4',5'-Didéhydro-5',6',7,7',8,8',9,10,13,14-décahydro-β,β-carotène [French] [ACD/IUPAC Name]
(6'S,9R,13S)-4',5'-Didehydro-5',6',7,7',8,8',9,10,13,14-decahydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 4,5-didehydro-5,6,7,7',8,8',9',10',13',14'-decahydro-, (6S,9'R,13'S)- [ACD/Index Name]
BCR

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

Density: 0.9±0.1 g/cm3
Boiling Point: 615.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 88.0±0.8 kJ/mol
Flash Point: 329.0±23.6 °C
Index of Refraction: 1.498
Molar Refractivity: 182.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 16.98
ACD/LogD (pH 5.5): 14.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 622.4±3.0 cm3

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