ChemSpider 2D Image | 2-({3-Acetamido-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-(7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl)-beta-D-gulopyranosylamine | C27H48N10O10

2-({3-Acetamido-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-(7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl)-β-D-gulopyranosylamine

  • Molecular FormulaC27H48N10O10
  • Average mass672.731 Da
  • Monoisotopic mass672.355469 Da
  • ChemSpider ID8637561

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

2-({3-Acetamido-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-(7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl)-β-D-gulopyranosylamine [ACD/IUPAC Name]
2-({3-Acetamido-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-desoxy-N-(7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl)-β-D-gulopyranosylamin [German] [ACD/IUPAC Name]
2-({3-Acétamido-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-désoxy-N-(7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl)-β-D-gulopyranosylamine [French] [ACD/IUPAC Name]
β-D-Gulopyranosylamine, 2-[[3-(acetylamino)-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-2-deoxy-N-(3a,4,5,6,7,7a-hexahydro-7-hydroxy-4-oxo-1H-imidazo[4,5-c]pyridin-2-yl)-, 4-carbamate [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 15
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -7.33
ACD/LogD (pH 5.5): -11.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 77.3±7.0 dyne/cm
Molar Volume: 394.1±7.0 cm3

Click to predict properties on the Chemicalize site


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