Found 21 results

Search term: MF = 'C_{42}H_{60}O_{6}'
ChemSpider 2D Image | (3S,3'S,5R,5'R,6S,6'S)-3,5'-Dihydroxy-8-oxo-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate | C42H60O6

(3S,3'S,5R,5'R,6S,6'S)-3,5'-Dihydroxy-8-oxo-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-caroten-3'-yl acetate

  • Molecular FormulaC42H60O6
  • Average mass660.922 Da
  • Monoisotopic mass660.438965 Da
  • ChemSpider ID129306077

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3'S,5R,5'R,6S,6'S)-3,5'-Dihydroxy-8-oxo-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-caroten-3'-yl acetate [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6S,6'S)-3,5'-Dihydroxy-8-oxo-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-carotin-3'-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,3'S,5R,5'R,6S,6'S)-3,5'-dihydroxy-8-oxo-5,5',6,6',7,8-hexahydro-5,6-époxy-β,β-carotén-3'-yle [French] [ACD/IUPAC Name]
β,β-Caroten-8-one, 3'-(acetyloxy)-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-, (3S,3'S,5R,5'R,6S,6'S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 213.1±26.4 °C
Index of Refraction: 1.559
Molar Refractivity: 195.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 226986.20
ACD/KOC (pH 5.5): 237355.66
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 226986.20
ACD/KOC (pH 7.4): 237355.66
Polar Surface Area: 96 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 605.6±5.0 cm3

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