ChemSpider 2D Image | Corbiculaxanthin | C40H56O4

Corbiculaxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID9824866

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S,3'S,4R,5'R)-6',7'-Didehydro-5',6'-dihydro-β,β-carotene-3,3',4,5'-tetrol [ACD/IUPAC Name]
(3S,3'S,4R,5'R)-6',7'-Didéhydro-5',6'-dihydro-β,β-carotène-3,3',4,5'-tétrol [French] [ACD/IUPAC Name]
(3S,3'S,4R,5'R)-6',7'-Didehydro-5',6'-dihydro-β,β-carotin-3,3',4,5'-tetrol [German] [ACD/IUPAC Name]
Corbiculaxanthin
β,β-Carotene-3,3',4,5'-tetrol, 6',7'-didehydro-5',6'-dihydro-, (3S,3'S,4R,5'R)- [ACD/Index Name]
(3S,3'S,4'R,5'R,6'R)-6',7'-didehydro-3,4,3',5-tetrol
866025-61-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 752.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 289.8±27.5 °C
Index of Refraction: 1.574
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.28
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 820497.56
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 820497.56
Polar Surface Area: 81 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 566.5±5.0 cm3

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