ChemSpider 2D Image | (9'S,11cis)-10',11'-Didehydro-7,8,9',12',15,15'-hexahydro-beta,beta-carotene | C40H60

(9'S,11cis)-10',11'-Didehydro-7,8,9',12',15,15'-hexahydro-β,β-carotene

  • Molecular FormulaC40H60
  • Average mass540.904 Da
  • Monoisotopic mass540.469482 Da
  • ChemSpider ID61714199
  • 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

(9'S,11cis)-10',11'-Didehydro-7,8,9',12',15,15'-hexahydro-β,β-carotene [ACD/IUPAC Name]
(9'S,11cis)-10',11'-Didéhydro-7,8,9',12',15,15'-hexahydro-β,β-carotène [French] [ACD/IUPAC Name]
(9'S,11cis)-10',11'-Didehydro-7,8,9',12',15,15'-hexahydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 10,11-didehydro-7',8',9,12,15,15'-hexahydro-, (9S,11'cis)- [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: 605.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 86.7±0.8 kJ/mol
Flash Point: 329.3±22.6 °C
Index of Refraction: 1.528
Molar Refractivity: 182.1±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): 14.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 591.4±3.0 cm3

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