ChemSpider 2D Image | (+)-clavaminol H | C14H29NO3

(+)-clavaminol H

  • Molecular FormulaC14H29NO3
  • Average mass259.385 Da
  • Monoisotopic mass259.214752 Da
  • ChemSpider ID26233971

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-clavaminol H
(2R,3S)-2-Acetylaminododecan-1,3-diol
Acetamide, N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)undecyl]- [ACD/Index Name]
Clavaminol H
N-[(2R,3S)-1,3-Dihydroxy-2-dodecanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2R,3S)-1,3-Dihydroxy-2-dodecanyl]acetamide [ACD/IUPAC Name]
N-[(2R,3S)-1,3-Dihydroxy-2-dodécanyl]acétamide [French] [ACD/IUPAC Name]
1160519-77-6 [RN]
N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 467.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 236.6±25.9 °C
Index of Refraction: 1.475
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 244.73
ACD/KOC (pH 5.5): 1784.15
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 244.73
ACD/KOC (pH 7.4): 1784.15
Polar Surface Area: 70 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 261.3±3.0 cm3

Click to predict properties on the Chemicalize site


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