ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->3)-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 | C108H180N2O27P2

α-D-Mannopyranosyl-(1->3)-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 FormulaC108H180N2O27P2
  • Average mass2000.530 Da
  • Monoisotopic mass1999.224854 Da
  • ChemSpider ID35032402

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 20 of 21 defined stereocentres

More details:

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

α-D-Mannopyranosyl-(1->3)-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]
α-D-Mannopyranosyl-(1->3)-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-glucopyranos e [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-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-glucopyranos e [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-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]hydroxyp hosphinyl]- [ACD/Index Name]
(mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol
[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(

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: 1.567
Molar Refractivity: 547.1±0.4 cm3
#H bond acceptors: 29
#H bond donors: 15
#Freely Rotating Bonds: 65
#Rule of 5 Violations: 4
ACD/LogP: 26.04
ACD/LogD (pH 5.5): 15.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 467 Å2
Polarizability: 216.9±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 1674.6±5.0 cm3

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