ChemSpider 2D Image | Cucurbitaxanthin A | C40H56O3

Cucurbitaxanthin A

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID9608097

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3'S,5'R,6'R)-5',6'-Dihydro-3',6'-epoxy-β,β-carotene-3,5'-diol [ACD/IUPAC Name]
(3R,3'S,5'R,6'R)-5',6'-Dihydro-3',6'-époxy-β,β-carotène-3,5'-diol [French] [ACD/IUPAC Name]
(3R,3'S,5'R,6'R)-5',6'-Dihydro-3',6'-epoxy-β,β-carotin-3,5'-diol [German] [ACD/IUPAC Name]
103955-77-7 [RN]
Cucurbitaxanthin A
β,β-Carotene-3,5'-diol, 3',6'-epoxy-5',6'-dihydro-, (3R,3'S,5'R,6'R)- [ACD/Index Name]
(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
(1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
(3R,3'S,5'R,6'R)-3',6'-Epoxy-5',6'-dihydro-β,β-carotene-3,5'-diol
3,6-Epoxide-5-hydroxy-5,6-dihydrozeaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 696.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 374.8±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.39
ACD/LogD (pH 5.5): 9.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2982626.50
ACD/LogD (pH 7.4): 9.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2982626.50
Polar Surface Area: 50 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 557.8±3.0 cm3

Click to predict properties on the Chemicalize site


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