ChemSpider 2D Image | (2R,3S,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 3-(carboxymethyl)-3-deoxy-beta-D-gulopyranoside | C44H83NO9

(2R,3S,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 3-(carboxymethyl)-3-deoxy-β-D-gulopyranoside

  • Molecular FormulaC44H83NO9
  • Average mass770.131 Da
  • Monoisotopic mass769.606812 Da
  • ChemSpider ID8051184

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3S,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 3-(carboxymethyl)-3-deoxy-β-D-gulopyranoside [ACD/IUPAC Name]
(2R,3S,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl-3-(carboxymethyl)-3-desoxy-β-D-gulopyranosid [German] [ACD/IUPAC Name]
3-(Carboxyméthyl)-3-désoxy-β-D-gulopyranoside de (2R,3S,4E)-3-hydroxy-2-(stearoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
β-D-Gulopyranoside, (2R,3S,4E)-3-hydroxy-2-[(1-oxooctadecyl)amino]-4-octadecen-1-yl 3-(carboxymethyl)-3-deoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 898.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.3±6.0 kJ/mol
Flash Point: 497.3±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 218.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 14.30
ACD/LogD (pH 5.5): 11.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 9.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 193345.06
Polar Surface Area: 166 Å2
Polarizability: 86.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 721.6±5.0 cm3

Click to predict properties on the Chemicalize site


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