ChemSpider 2D Image | (9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-beta,beta-carotene-4,4'-dione | C40H50O4

(9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-β,β-carotene-4,4'-dione

  • Molecular FormulaC40H50O4
  • Average mass594.823 Da
  • Monoisotopic mass594.370911 Da
  • ChemSpider ID35014286

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(9cis,13'cis)-3,3'-Dihydroxy-7,8-didéhydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-dione, 7,8-didehydro-3,3'-dihydroxy-, (9cis,13'cis)- [ACD/Index Name]
(3S,3'S)-7,8-Didehydro-3,3'-dihydroxy-β,β-carotene-4,4'-dione
(3S,3'S)-7,8-Didehydroastaxanthin
19866-02-5 [RN]
6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
7,8-Dehydroastaxanthianthin
7,8-Didehydro-3,3'-dihydroxy-b,b-carotene-4,4'-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 425.3±29.4 °C
Index of Refraction: 1.578
Molar Refractivity: 181.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 472772.38
ACD/KOC (pH 5.5): 401317.38
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 472765.13
ACD/KOC (pH 7.4): 401311.22
Polar Surface Area: 75 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 548.0±5.0 cm3

Click to predict properties on the Chemicalize site


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