ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (4xi)-5-acetamido-6-[(1S,2R)-2-({(4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2-ulopyranonosyl}oxy)-1,3-d ihydroxypropyl]-3,5-dideoxy-beta-L-glycero-hex-2-ulopyranonosyl-(2->3)-[2-acetamido-2-deoxy-alpha-L-erythro-hexopyranosyl-(1->4)]-alpha-L-erythro-hexopyranosyl-(1->4)-beta-D-threo-hexopyranoside | C78H138N4O34

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (4ξ)-5-acetamido-6-[(1S,2R)-2-({(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranonosyl}oxy)-1,3-d ihydroxypropyl]-3,5-dideoxy-β-L-glycero-hex-2-ulopyranonosyl-(2->3)-[2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranoside

  • Molecular FormulaC78H138N4O34
  • Average mass1675.937 Da
  • Monoisotopic mass1674.919189 Da
  • ChemSpider ID24848819

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 29 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (4ξ)-5-acetamido-6-[(1S,2R)-2-({(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranonosyl}oxy)-1,3-d ihydroxypropyl]-3,5-dideoxy-β-L-glycero-hex-2-ulopyranonosyl-(2->3)-[2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl-(4ξ)-5-acetamido-6-[(1S,2R)-2-({(4ξ)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranonosyl}oxy)-1,3- dihydroxypropyl]-3,5-didesoxy-β-L-glycero-hex-2-ulopyranonosyl-(2->3)-[2-acetamido-2-desoxy-α-L-erythro-hexopyranosyl-(1->4)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
(4ξ)-5-Acétamido-6-[(1S,2R)-2-({(4ξ)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycéro-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-didésoxy-β-L-glycéro-hex-2-ulopy ranonosyl-(2->3)-[2-acétamido-2-désoxy-α-L-érythro-hexopyranosyl-(1->4)]-α-L-érythro-hexopyranosyl-(1->4)-β-D-thréo-hexopyranoside de (2S,3R,4E)-3-hydroxy-2-(stearoylamino)-4-octadécén-1-yl e [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-O-[O-5-(acetylamino)-3,5-dideoxy-α-D-arabino-2-nonulopyranonosyl-(2->8)-5-(acetylamino)-3,5-dideox y-α-D-arabino-2-nonulopyranonosyl-(2->3)]-O-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1631.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 287.1±6.0 kJ/mol
Flash Point: 940.5±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 412.7±0.4 cm3
#H bond acceptors: 38
#H bond donors: 22
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 4
ACD/LogP: 10.45
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 3.56
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 3.54
Polar Surface Area: 607 Å2
Polarizability: 163.6±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 1216.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement