ChemSpider 2D Image | α-Tocopherol phosphate | C29H51O5P

α-Tocopherol phosphate

  • Molecular FormulaC29H51O5P
  • Average mass510.686 Da
  • Monoisotopic mass510.347412 Da
  • ChemSpider ID85271

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yldihydrogenphosphat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, dihydrogen phosphate, (2R)- [ACD/Index Name]
71276-50-1 [RN]
Dihydrogénophosphate de (2R)-2,5,7,8-tétraméthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
α-Tocopherol phosphate
(2R-(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphate
??-Tocopherol (phosphate)
[(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]-3,4-DIHYDRO-1-BENZOPYRAN-6-YL]OXYPHOSPHONIC ACID
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanyl] dihydrogen phosphate
More...

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

P7Q15MLX1X [DBID]
UNII:P7Q15MLX1X [DBID]
V7EZ83SETP [DBID]
UNII:V7EZ83SETP [DBID]
UNII-P7Q15MLX1X [DBID]
UNII-V7EZ83SETP [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: 615.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 325.9±34.3 °C
Index of Refraction: 1.503
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.78
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 309.03
ACD/KOC (pH 5.5): 222.44
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 37.54
ACD/KOC (pH 7.4): 27.02
Polar Surface Area: 86 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 491.0±3.0 cm3

Click to predict properties on the Chemicalize site


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