ChemSpider 2D Image | 2-Acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyl-6,10, 14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose | C96H160N2O17P2

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyl-6,10, 14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose

  • Molecular FormulaC96H160N2O17P2
  • Average mass1676.248 Da
  • Monoisotopic mass1675.119263 Da
  • ChemSpider ID35032410

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyl-6,10, 14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-(2-acetamido-2-desoxy-β-D-glucopyranosyl)-2-desoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyl-6,1 0,14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-glucopyranosyl)-2-désoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadécaméthyl-6,1 0,14,18,22,26,30,34,38,42,46,50,54,58,62-tétrahexacontapentadécaén-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-1-O-[[[[[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51 ,55,59,63-hexadecamethyl-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
(N-acetylglucosaminyl)2-diphosphodolichol
[({[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy][(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl)oxy]phosphinic acid
[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-
[N-acetyl-b-D-glucosaminyl-(1->4)- N-acetyl-D-glucosaminyl]diphosphodolichol
[N-acetyl-β-D-glucosaminyl-(1->4)- N-acetyl-D-glucosaminyl]diphosphodolichol
[N-acetyl-β-δ-glucosaminyl-(1->4)- N-acetyl-δ-glucosaminyl]diphosphodolichol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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: 1.548
Molar Refractivity: 479.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 4
ACD/LogP: 28.68
ACD/LogD (pH 5.5): 19.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 309 Å2
Polarizability: 190.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 1511.2±5.0 cm3

Click to predict properties on the Chemicalize site


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