ChemSpider 2D Image | Ubichromenol | C59H90O4

Ubichromenol

  • Molecular FormulaC59H90O4
  • Average mass863.344 Da
  • Monoisotopic mass862.683899 Da
  • ChemSpider ID4947722

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-7,8-Dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl]-2H-chromen-6-ol [ACD/IUPAC Name]
(2R)-7,8-Dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl]-2H-chromen-6-ol [German] [ACD/IUPAC Name]
(2R)-7,8-Diméthoxy-2,5-diméthyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonaméthyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaén-1-yl]-2H-chromén-6-ol [French] [ACD/IUPAC Name]
2382-48-1 [RN]
2H-1-Benzopyran-6-ol, 7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl]-, (2R)- [ACD/Index Name]
Ubichromenol
UBICHROMENOL 50
(2R)-7,8-DIMETHOXY-2,5-DIMETHYL-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-NONAMETHYLHEPTATRIACONTA-3,7,11,15,19,23,27,31,35-NONAEN-1-YL]CHROMEN-6-OL
(2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]-6-chromenol
(2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
More...

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

1EU272IO2S [DBID]
UNII:1EU272IO2S [DBID]
UNII-1EU272IO2S [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 852.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 469.6±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 276.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 21.68
ACD/LogD (pH 5.5): 19.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 48 Å2
Polarizability: 109.6±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 906.3±3.0 cm3

Click to predict properties on the Chemicalize site


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