ChemSpider 2D Image | micromonol | C40H58O3

micromonol

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID10475685

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3'R,6R)-4,5-Didehydro-5,6,7,8-tetrahydro-β,β-carotene-3,3',19-triol [ACD/IUPAC Name]
(3R,3'R,6R)-4,5-Didéhydro-5,6,7,8-tétrahydro-β,β-carotène-3,3',19-triol [French] [ACD/IUPAC Name]
(3R,3'R,6R)-4,5-Didehydro-5,6,7,8-tetrahydro-β,β-carotin-3,3',19-triol [German] [ACD/IUPAC Name]
micromonol
β,β-Carotene-3,3',19-triol, 4,5-didehydro-5,6,7,8-tetrahydro-, (3R,3'R,6R)- [ACD/Index Name]
(3R,3'R,6'R)-7',8'-Dihydro-β,ε-carotene-3,3',19'-triol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 279.9±27.5 °C
Index of Refraction: 1.563
Molar Refractivity: 188.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.52
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4654841.00
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4654841.00
Polar Surface Area: 61 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 581.8±3.0 cm3

Click to predict properties on the Chemicalize site


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