ChemSpider 2D Image | (2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl](13,13,14,14,15,15,16,16,16-~2~H_9_)hexadecanamide | C34H60D9NO5

(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl](13,13,14,14,15,15,16,16,16-2H9)hexadecanamide

  • Molecular FormulaC34H60D9NO5
  • Average mass580.971 Da
  • Monoisotopic mass580.574036 Da
  • ChemSpider ID98645228

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl](13,13,14,14,15,15,16,16,16-2H9)hexadecanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl](13,13,14,14,15,15,16,16,16-2H9)hexadecanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl](13,13,14,14,15,15,16,16,16-2H9)hexadécanamide [French] [ACD/IUPAC Name]
Hexadecanamide-13,13,14,14,15,15,16,16,16-d9, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy-, (2R)- [ACD/Index Name]
2260670-10-6 [RN]
CER6-2'R(d9)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.488
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 12.05
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 587.2±3.0 cm3

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