ChemSpider 2D Image | (2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]docosanamide | C40H81NO5

(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]docosanamide

  • Molecular FormulaC40H81NO5
  • Average mass656.075 Da
  • Monoisotopic mass655.611450 Da
  • ChemSpider ID8898311

  • defined stereocentres - 4 of 4 defined stereocentres

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]docosanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]docosanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl]docosanamide [French] [ACD/IUPAC Name]
Docosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy-, (2R)- [ACD/Index Name]
(2S, 3S, 4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1, 3, 4-octadecanetriol
(2S,3S,4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1,3,4-octadecanetriol

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

AIDS398416 [DBID]
AIDS-398416 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 427.1±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 197.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 15.24
ACD/LogD (pH 5.5): 13.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 686.3±3.0 cm3

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