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

2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-deoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyra nosylamine

  • Molecular FormulaC27H48N10O10
  • Average mass672.731 Da
  • Monoisotopic mass672.355469 Da
  • ChemSpider ID59702702

  • defined stereocentres - 10 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-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyra nosylamine [ACD/IUPAC Name]
2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-deoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyra nosylamine [ACD/IUPAC Name]
2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-desoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyr anosylamin [German] [ACD/IUPAC Name]
2-{[(3S)-3-Acétamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-désoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyr anosylamine [French] [ACD/IUPAC Name]
2-{[(3S)-3-Acetamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-desoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyr anosylamin [German] [ACD/IUPAC Name]
2-{[(3S)-3-Acétamido-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}-6-O-carbamoyl-2-désoxy-N-[(3aR,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl]-α-D-galactopyr anosylamine [French] [ACD/IUPAC Name]
α-D-Galactopyranosylamine, 2-[[(3S)-3-(acetylamino)-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-N-[(3aR,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-4-oxo-1H-imidazo[4,5-c]pyridi n-2-yl]-, 6-carbamate [ACD/Index Name]
α-D-Galactopyranosylamine, 2-[[(3S)-3-(acetylamino)-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-N-[(3aR,7R,7aS)-3a,4,5,6,7,7a-hexahydro-7-hydroxy-4-oxo-3H-imidazo[4,5-c]pyridi n-2-yl]-, 6-carbamate [ACD/Index Name]
E'[6-[(Z)-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-3,4-dihydroxy-tetrahydropyran-2-yl]methyl carbamate'

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: -7.32
ACD/LogD (pH 5.5): -11.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.88
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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