ChemSpider 2D Image | 4',5'-Didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol | C40H72O2

4',5'-Didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H72O2
  • Average mass584.998 Da
  • Monoisotopic mass584.553223 Da
  • ChemSpider ID22377561

More details:

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

4',5'-Didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
4',5'-Didéhydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadécahydro-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
4',5'-Didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 4,5-didehydro-5,6,7,8,9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 643.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 232.8±24.7 °C
Index of Refraction: 1.505
Molar Refractivity: 187.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 14.91
ACD/LogD (pH 5.5): 13.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 631.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement