ChemSpider 2D Image | 1,1',2,2',7',8'-Hexahydro-psi,psi-carotene-1,1'-diol | C40H62O2

1,1',2,2',7',8'-Hexahydro-ψ,ψ-carotene-1,1'-diol

  • Molecular FormulaC40H62O2
  • Average mass574.919 Da
  • Monoisotopic mass574.474976 Da
  • ChemSpider ID17220972

  • Double-bond stereo - Double-bond stereo

More details:

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

1,1',2,2',7',8'-Hexahydro-ψ,ψ-carotene-1,1'-diol [ACD/IUPAC Name]
1,1',2,2',7',8'-Hexahydro-ψ,ψ-carotène-1,1'-diol [French] [ACD/IUPAC Name]
1,1',2,2',7',8'-Hexahydro-ψ,ψ-carotin-1,1'-diol [German] [ACD/IUPAC Name]
ψ,ψ-Carotene-1,1'-diol, 1,1',2,2',7,8-hexahydro- [ACD/Index Name]
1,1'-dihydroxy-1,1',2,2'-tetrahydroneurosporene
1,1'-dihydroxyneurosporene
1,1'-dihydroxy-neurosporene
Dihydroxyneurosporene
Dihydroxyneurosporene/ OH-Chloroxanthin
  • Miscellaneous

    • Chemical Class:

      A carotenol obtained by formal hydration across the two double bonds at positions 1 and 1' of neurosporene. ChEBI CHEBI:138076

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

Density: 0.9±0.1 g/cm3
Boiling Point: 704.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 264.0±26.1 °C
Index of Refraction: 1.526
Molar Refractivity: 190.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 12.22
ACD/LogD (pH 5.5): 11.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 618.9±3.0 cm3

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