ChemSpider 2D Image | (2S)-2,8-Dimethyl-5,7-bis[(~13~C,~2~H_3_)methyl]-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl (~13~C_2_)acetate | C2713C4H46D6O3

(2S)-2,8-Dimethyl-5,7-bis[(13C,2H3)methyl]-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl (13C2)acetate

  • Molecular FormulaC2713C4H46D6O3
  • Average mass482.750 Da
  • Monoisotopic mass482.442719 Da
  • ChemSpider ID115010186

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(13C2)Acétate de (2S)-2,8-diméthyl-5,7-bis[(13C,2H3)méthyl]-2-[(4S,8S)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
(2S)-2,8-Dimethyl-5,7-bis[(13C,2H3)methyl]-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl (13C2)acetate [ACD/IUPAC Name]
(2S)-2,8-Dimethyl-5,7-bis[(13C,2H3)methyl]-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl-(13C2)acetat [German] [ACD/IUPAC Name]
Acetic-13C2 acid, (2S)-3,4-dihydro-2,8-dimethyl-5,7-di(methyl-13C-d3)-2-[(4S,8S)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.488
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 502.0±3.0 cm3

Click to predict properties on the Chemicalize site


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