ChemSpider 2D Image | δ-Tocopherol | C27H46O2

δ-Tocopherol

  • Molecular FormulaC27H46O2
  • Average mass402.653 Da
  • Monoisotopic mass402.349792 Da
  • ChemSpider ID26340862

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2,8-Dimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-6-chromanol [German] [ACD/IUPAC Name]
(2S)-2,8-Dimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2S)-2,8-Diméthyl-2-[(4S,8S)-4,8,12-triméthyltridécyl]-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-, (2S)- [ACD/Index Name]
δ-Tocopherol
()-δ-Tocopherol
(+)-??-Tocopherol
(2R(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
(2R)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
More...

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

47784_SUPELCO [DBID]
C14151 [DBID]
T2028_SIGMA [DBID]
UNII-R0ZB2556P8 [DBID]
ZINC04215541 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 504.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 200.1±21.3 °C
Index of Refraction: 1.495
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 9.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3464445.75
ACD/LogD (pH 7.4): 9.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3462730.50
Polar Surface Area: 29 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 430.2±3.0 cm3

Click to predict properties on the Chemicalize site


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