ChemSpider 2D Image | 3',6-Dihydroxy-4,5,7',8'-tetradehydro-5,6,7,8-tetrahydro-beta,beta-carotene-3,8-dione | C40H52O4

3',6-Dihydroxy-4,5,7',8'-tetradehydro-5,6,7,8-tetrahydro-β,β-carotene-3,8-dione

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID4945158
  • Double-bond stereo - Double-bond stereo


More details:






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

3',6-Dihydroxy-4,5,7',8'-tetradehydro-5,6,7,8-tetrahydro-β,β-carotene-3,8-dione [ACD/IUPAC Name]
3',6-Dihydroxy-4,5,7',8'-tétradéhydro-5,6,7,8-tétrahydro-β,β-carotène-3,8-dione [French] [ACD/IUPAC Name]
3',6-Dihydroxy-4,5,7',8'-tetradehydro-5,6,7,8-tetrahydro-β,β-carotin-3,8-dion [German] [ACD/IUPAC Name]
β,β-Carotene-3,8-dione, 4,5,7',8'-tetradehydro-5,6,7,8-tetrahydro-3',6-dihydroxy- [ACD/Index Name]
(6S,3'R)-6,3'-Dihydroxy-4,5,7',8'-tetradehydro-7,8-dihydro-β,β-carotene-3,8-dione
4-HYDROXY-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-3,7,12,16-TETRAMETHYL-2-OXOOCTADECA-3,5,7,9,11,13,15-HEPTAEN-17-YN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE
92121-55-6 [RN]
amarouciaxanthin B
β,ε-Carotene-3,6'-diol, 7,8-didehydro-7',8'-dihydro-3',8'-dioxo-, (3R,6'S)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 755.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 424.6±29.4 °C
Index of Refraction: 1.570
Molar Refractivity: 182.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 967129.44
ACD/KOC (pH 5.5): 669851.81
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 967124.13
ACD/KOC (pH 7.4): 669848.19
Polar Surface Area: 75 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 554.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement