ChemSpider 2D Image | (2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(Hexacosanoylamino)-3,4-Dihydroxy-Octadecoxy]-3,4,5-Trihydroxy-N-(Phenylmethyl)oxane-2-Carboxamide | C57H104N2O9

(2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(Hexacosanoylamino)-3,4-Dihydroxy-Octadecoxy]-3,4,5-Trihydroxy-N-(Phenylmethyl)oxane-2-Carboxamide

  • Molecular FormulaC57H104N2O9
  • Average mass961.444 Da
  • Monoisotopic mass960.774170 Da
  • ChemSpider ID26328747

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(Hexacosanoylamino)-3,4-Dihydroxy-Octadecoxy]-3,4,5-Trihydroxy-N-(Phenylmethyl)oxane-2-Carboxamide
(2S,3R,4S,5R,6S)-N-Benzyl-6-{[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxamid [German] [ACD/IUPAC Name]
(2S,3R,4S,5R,6S)-N-Benzyl-6-{[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxamide [ACD/IUPAC Name]
(2S,3R,4S,5R,6S)-N-Benzyl-6-{[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyoctadécyl]oxy}-3,4,5-trihydroxytétrahydro-2H-pyrane-2-carboxamide [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 1034.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.4±3.0 kJ/mol
Flash Point: 579.2±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 279.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 4
ACD/LogP: 20.20
ACD/LogD (pH 5.5): 16.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 178 Å2
Polarizability: 110.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 905.6±5.0 cm3

Click to predict properties on the Chemicalize site


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