ChemSpider 2D Image | (+)-Clavaminol C | C14H29NO2

(+)-Clavaminol C

  • Molecular FormulaC14H29NO2
  • Average mass243.386 Da
  • Monoisotopic mass243.219833 Da
  • ChemSpider ID23285076

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-Clavaminol C
Acetamide, N-[(1R,2S)-2-hydroxy-1-methylundecyl]- [ACD/Index Name]
Clavaminol C
N-((2R,3S)-3-hydroxydodecan-2-yl)acetamide
N-[(2R,3S)-3-Hydroxy-2-dodecanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2R,3S)-3-Hydroxy-2-dodecanyl]acetamide [ACD/IUPAC Name]
N-[(2R,3S)-3-Hydroxy-2-dodécanyl]acétamide [French] [ACD/IUPAC Name]
N-[(2R,3S)-3-hydroxydodecan-2-yl]acetamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL387845/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 399.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 195.5±23.2 °C
Index of Refraction: 1.458
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 543.30
ACD/KOC (pH 5.5): 3157.52
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.30
ACD/KOC (pH 7.4): 3157.52
Polar Surface Area: 49 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 263.8±3.0 cm3

Click to predict properties on the Chemicalize site


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