ChemSpider 2D Image | (2R,3R)-2-Amino-1,3-(16,16,17,17,18,18,18-~2~H_7_)octadecanediol | C18H32D7NO2

(2R,3R)-2-Amino-1,3-(16,16,17,17,18,18,18-2H7)octadecanediol

  • Molecular FormulaC18H32D7NO2
  • Average mass308.551 Da
  • Monoisotopic mass308.342010 Da
  • ChemSpider ID58801395

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R)-2-Amino-1,3-(16,16,17,17,18,18,18-2H7)octadecandiol [German] [ACD/IUPAC Name]
(2R,3R)-2-Amino-1,3-(16,16,17,17,18,18,18-2H7)octadecanediol [ACD/IUPAC Name]
(2R,3R)-2-Amino-1,3-(16,16,17,17,18,18,18-2H7)octadécanediol [French] [ACD/IUPAC Name]
1,3-Octadecane-16,16,17,17,18,18,18-d7-diol, 2-amino-, (2R,3R)- [ACD/Index Name]
1246304-35-7 [RN]
MFCD00792773

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

Density: 0.9±0.1 g/cm3
Boiling Point: 446.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 223.7±23.2 °C
Index of Refraction: 1.478
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 9.86
ACD/KOC (pH 5.5): 23.82
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 39.10
ACD/KOC (pH 7.4): 94.41
Polar Surface Area: 66 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 325.1±3.0 cm3

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