ChemSpider 2D Image | 2-Deoxy-6-O-{2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-beta-D-glucopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphono-beta-D-glucopyra nose | C68H129N2O20P

2-Deoxy-6-O-{2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-β-D-glucopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphono-β-D-glucopyra nose

  • Molecular FormulaC68H129N2O20P
  • Average mass1325.727 Da
  • Monoisotopic mass1324.887573 Da
  • ChemSpider ID389445

  • defined stereocentres - 10 of 14 defined stereocentres

More details:

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

2-Deoxy-6-O-{2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-β-D-glucopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphono-β-D-glucopyra nose [ACD/IUPAC Name]
2-Desoxy-6-O-{2-desoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-β-D-glucopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphono-β-D-glucopy ranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-{2-désoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-β-D-glucopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphono-β-D-glucopy ranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)amino]-β-D-glucopyranosyl]-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)ami no]-, 1-(dihydrogen phosphate) [ACD/Index Name]
2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate
2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(β-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl β-phosphate
2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate
2,3-Bis-(β-hydroxymyristoyl)-D-glucosaminyl-(β-D-1,6)-2,3-bis(β-hydroxymyristoyl)-D-glucosaminyl β-phosphate
lipid A disaccharide

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

C04932 [DBID]

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: 1.532
Molar Refractivity: 351.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 60
#Rule of 5 Violations: 4
ACD/LogP: 15.48
ACD/LogD (pH 5.5): 11.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1143884.13
ACD/LogD (pH 7.4): 10.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 96344.65
Polar Surface Area: 357 Å2
Polarizability: 139.3±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 1133.2±5.0 cm3

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