ChemSpider 2D Image | 2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]hexopyranosylamine | C27H48N10O10

2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]hexopyranosylamine

  • Molecular FormulaC27H48N10O10
  • Average mass672.731 Da
  • Monoisotopic mass672.355469 Da
  • ChemSpider ID34528303

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]hexopyranosylamine [ACD/IUPAC Name]
2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-desoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-yliden]hexopyranosylamin [German] [ACD/IUPAC Name]
2-{[(3S)-3-Acétamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-désoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidène]hexopyranosylamine [French] [ACD/IUPAC Name]
Hexopyranosylamine, 2-[[(3S)-3-(acetylamino)-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-N-[(3aS,7R,7aS)-octahydro-7-hydroxy-4-oxo-2H-imidazo[4,5-c]pyridin-2-ylidene]-, 6-carbamat e [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: 17
#Rule of 5 Violations: 3
ACD/LogP: -6.70
ACD/LogD (pH 5.5): -11.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.18
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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