ChemSpider 2D Image | (2R)-6-Hydroxy-5,7,8-trimethyl-2-(~2~H_3_)methyl-2-(3,3-~2~H_2_)chromanecarboxylic acid | C14H13D5O4

(2R)-6-Hydroxy-5,7,8-trimethyl-2-(2H3)methyl-2-(3,3-2H2)chromanecarboxylic acid

  • Molecular FormulaC14H13D5O4
  • Average mass255.321 Da
  • Monoisotopic mass255.151886 Da
  • ChemSpider ID110804900

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-6-Hydroxy-5,7,8-trimethyl-2-(2H3)methyl-2-(3,3-2H2)chromancarbonsäure [German] [ACD/IUPAC Name]
(2R)-6-Hydroxy-5,7,8-trimethyl-2-(2H3)methyl-2-(3,3-2H2)chromanecarboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-3-d-2-carboxylic acid, 3,4-dihydro-3-d-6-hydroxy-5,7,8-trimethyl-2-(methyl-d3)-, (2R)- [ACD/Index Name]
Acide (2R)-6-hydroxy-5,7,8-triméthyl-2-(2H3)méthyl-2-(3,3-2H2)chromanecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 171.0±22.2 °C
Index of Refraction: 1.568
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.14
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 205.2±3.0 cm3

Click to predict properties on the Chemicalize site


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