ChemSpider 2D Image | 4-Hydroxymyxol | C40H56O4

4-Hydroxymyxol

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID24607929

  • 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

(3S,3'E,4R)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotene-1',2',3,4-tetrol [ACD/IUPAC Name]
(3S,3'E,4R)-3',4'-Didéhydro-1',2'-dihydro-β,ψ-carotène-1',2',3,4-tétrol [French] [ACD/IUPAC Name]
(3S,3'E,4R)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotin-1',2',3,4-tetrol [German] [ACD/IUPAC Name]
4-Hydroxymyxol
β,ψ-Carotene-1',2',3,4-tetrol, 3',4'-didehydro-1',2'-dihydro-, (3S,3'E,4R)- [ACD/Index Name]
(3S,4S,2'S)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotene-3,4,1',2'-tetrol
(3S,4S,2'S)-4-Hydroxymyxol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 775.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 298.4±27.5 °C
Index of Refraction: 1.583
Molar Refractivity: 192.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 692767.69
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 692766.94
Polar Surface Area: 81 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 576.8±3.0 cm3

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