ChemSpider 2D Image | (3R)-1-[(1R,2S)-2-(2-{3-Methoxy-4-[(~13~C)methyloxy]phenyl}ethoxy)cyclohexyl]-3-pyrrolidinol | C1913CH31NO4

(3R)-1-[(1R,2S)-2-(2-{3-Methoxy-4-[(13C)methyloxy]phenyl}ethoxy)cyclohexyl]-3-pyrrolidinol

  • Molecular FormulaC1913CH31NO4
  • Average mass350.457 Da
  • Monoisotopic mass350.228668 Da
  • ChemSpider ID9756587

  • 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

(3R)-1-[(1R,2S)-2-(2-{3-Methoxy-4-[(13C)methyloxy]phenyl}ethoxy)cyclohexyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3R)-1-[(1R,2S)-2-(2-{3-Methoxy-4-[(13C)methyloxy]phenyl}ethoxy)cyclohexyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R)-1-[(1R,2S)-2-(2-{3-Méthoxy-4-[(13C)méthyloxy]phényl}éthoxy)cyclohexyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[(1R,2S)-2-[2-[3-methoxy-4-(methyl-13C-oxy)phenyl]ethoxy]cyclohexyl]-, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 98.1±0.4 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: 38.9±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 304.8±5.0 cm3

Click to predict properties on the Chemicalize site


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