ChemSpider 2D Image | beta,beta-Carotene-3,3',4-triol | C40H56O3

β,β-Carotene-3,3',4-triol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID35013233

  • Double-bond stereo - Double-bond stereo

More details:

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

β,β-Carotene-3,3',4-triol [ACD/Index Name] [ACD/IUPAC Name]
β,β-Carotène-3,3',4-triol [French] [ACD/IUPAC Name]
β,β-Carotin-3,3',4-triol [German] [ACD/IUPAC Name]
(3S,3'R,4ξ)-β,β-Carotene-3,3',4-triol
3,4,3'-Trihydroxy-β-carotene
3,7-Dihydro-1,3-dimethyl-8-heptyl-1H-purine-2,6-dione
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol
β,β-Carotene-3,4,3'-triol

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: 1.0±0.1 g/cm3
Boiling Point: 728.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 279.7±27.5 °C
Index of Refraction: 1.595
Molar Refractivity: 190.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.80
ACD/LogD (pH 5.5): 9.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4932862.50
ACD/LogD (pH 7.4): 9.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4932862.50
Polar Surface Area: 61 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 561.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement