ChemSpider 2D Image | 4-O-Carbamoyl-2-deoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-glucopyranosylamine | C19H34N8O8

4-O-Carbamoyl-2-deoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-glucopyranosylamine

  • Molecular FormulaC19H34N8O8
  • Average mass502.522 Da
  • Monoisotopic mass502.249969 Da
  • ChemSpider ID29418395

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-O-Carbamoyl-2-deoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-glucopyranosylamine [ACD/IUPAC Name]
4-O-Carbamoyl-2-desoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
4-O-Carbamoyl-2-désoxy-2-{[(3S)-3,6-diaminohexanoyl]amino}-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, 2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-N-[(3aS,7R,7aS)-octahydro-7-hydroxy-4-oxo-2H-imidazo[4,5-c]pyridin-2-ylidene]-, 4-carbamate [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.12
ACD/LogD (pH 5.5): -9.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 92.7±7.0 dyne/cm
Molar Volume: 263.1±7.0 cm3

Click to predict properties on the Chemicalize site


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