ChemSpider 2D Image | (3S,3'R,5R)-5,6-Dihydro-beta,beta-carotene-3,3',5-triol | C40H58O3

(3S,3'R,5R)-5,6-Dihydro-β,β-carotene-3,3',5-triol

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID59696246

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,3'R,5R)-5,6-Dihydro-β,β-carotene-3,3',5-triol [ACD/IUPAC Name]
(3S,3'R,5R)-5,6-Dihydro-β,β-carotène-3,3',5-triol [French] [ACD/IUPAC Name]
(3S,3'R,5R)-5,6-Dihydro-β,β-carotin-3,3',5-triol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3',5-triol, 5,6-dihydro-, (3S,3'R,5R)- [ACD/Index Name]
(1R,3S)-6-[(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-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol
24730-28-7 [RN]
Deepoxyneoxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 709.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 270.1±27.5 °C
Index of Refraction: 1.585
Molar Refractivity: 191.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.44
ACD/LogD (pH 5.5): 9.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2543480.50
ACD/LogD (pH 7.4): 9.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2543480.50
Polar Surface Area: 61 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 570.2±3.0 cm3

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