ChemSpider 2D Image | (2R,5S,7R)-7-{[(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]methyl}-5-hydroxy-2-[(15-methylhexadecanoyl)oxy]-5-oxido-8-oxo-4,6-dioxa-9-aza-5lambda~5~-phosphaoctacos-1-yl 15-methylhexadecanoate | C67H129N2O15P

(2R,5S,7R)-7-{[(2-Acetamido-2-deoxy-α-D-glucopyranosyl)oxy]methyl}-5-hydroxy-2-[(15-methylhexadecanoyl)oxy]-5-oxido-8-oxo-4,6-dioxa-9-aza-5λ5-phosphaoctacos-1-yl 15-methylhexadecanoate

  • Molecular FormulaC67H129N2O15P
  • Average mass1233.719 Da
  • Monoisotopic mass1232.913086 Da
  • ChemSpider ID35035542

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1r,4s,6r)-6-({[2-(Acetylamino)-2-Deoxy-α-D-Glucopyranosyl]oxy}methyl)-4-Hydroxy-1-{[(15-Methylhexadecanoyl)oxy]methyl}-4-Oxido-7-Oxo-3,5-Dioxa-8-Aza-4-Phosphaheptacos-1-Yl 15-Methylhexadecanoate
(2R,5S,7R)-7-{[(2-Acetamido-2-deoxy-α-D-glucopyranosyl)oxy]methyl}-5-hydroxy-2-[(15-methylhexadecanoyl)oxy]-5-oxido-8-oxo-4,6-dioxa-9-aza-5λ5-phosphaoctacos-1-yl 15-methylhexadecanoate [ACD/IUPAC Name]
(2R,5S,7R)-7-{[(2-Acetamido-2-desoxy-α-D-glucopyranosyl)oxy]methyl}-5-hydroxy-2-[(15-methylhexadecanoyl)oxy]-5-oxido-8-oxo-4,6-dioxa-9-aza-5λ5-phosphaoctacos-1-yl-15-methylhexadecanoat [German] [ACD/IUPAC Name]
15-Méthylhexadécanoate de (19R,22S,24R)-24-{[(2-acétamido-2-désoxy-α-D-glucopyranosyl)oxy]méthyl}-22-hydroxy-2-méthyl-16,25-dioxo-22-oxydo-17,21,23-trioxa-26-aza-22λ5-phosphapentatétraconta n-19-yle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 15-methyl-, (1R)-1-[[[(S)-[(1R)-1-[[[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]oxy]methyl]-2-(nonadecylamino)-2-oxoethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
5PL

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.506
Molar Refractivity: 341.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 23.33
ACD/LogD (pH 5.5): 14.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 256 Å2
Polarizability: 135.2±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 1147.8±5.0 cm3

Click to predict properties on the Chemicalize site


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