ChemSpider 2D Image | beta-D-Mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-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 | C102H170N2O22P2

β-D-Mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-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 FormulaC102H170N2O22P2
  • Average mass1838.389 Da
  • Monoisotopic mass1837.171997 Da
  • ChemSpider ID35032423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 16 defined stereocentres

More details:

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

β-D-Glucopyranose, O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-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]
β-D-Mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-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]
β-D-Mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-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-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-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-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-tétrahexacontapentadécaén-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,4
{b-D-mannosyl-(1->4)-N-acetyl- b-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
{b-δ-mannosyl-(1->4)-N-acetyl- b-δ-glucosaminyl-(1->;4)-N-acetyl-δ-glucosaminyl}diphosphodolichol
a-D-Mannosylchitobiosyldiphosphodolichol
b-1,4-D-Mannosylchitobiosyldiphosphodolichol
mannosyl-(N-acetylglucosaminyl)2-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 513.4±0.4 cm3
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 25.81
ACD/LogD (pH 5.5): 16.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 388 Å2
Polarizability: 203.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 1592.9±5.0 cm3

Click to predict properties on the Chemicalize site


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