Found 12 results

Search term: MF = 'C_{40}H_{66}O_{4}'
ChemSpider 2D Image | (3S,3'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-beta,beta-carotene-4,4'-dione | C40H66O4

(3S,3'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-β,β-carotene-4,4'-dione

  • Molecular FormulaC40H66O4
  • Average mass610.950 Da
  • Monoisotopic mass610.496094 Da
  • ChemSpider ID61715249

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(3S,3'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(3S,3'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tétradécahydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(3S,3'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
(3S,3'S,9R,9'S,13S,13'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(3S,3'S,9R,9'S,13S,13'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tétradécahydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(3S,3'S,9R,9'S,13S,13'S)-3,3'-Dihydroxy-7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-dione, 7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-3,3'-dihydroxy-, (3S,3'S)- [ACD/Index Name]
β,β-Carotene-4,4'-dione, 7,8,9,9',10,10',11,11',12,12',13,13',14,14'-tetradecahydro-3,3'-dihydroxy-, (3S,3'S,9R,9'S,13S,13'S)- [ACD/Index Name]
AXT

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

Density: 1.0±0.1 g/cm3
Boiling Point: 706.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.1±6.0 kJ/mol
Flash Point: 394.9±29.4 °C
Index of Refraction: 1.522
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.74
ACD/LogD (pH 5.5): 9.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4976704.50
ACD/LogD (pH 7.4): 9.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4976655.50
Polar Surface Area: 75 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 615.9±3.0 cm3

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