ChemSpider 2D Image | 6-Deoxy-alpha-D-galactopyranosyl-(1->4)-[(6R)-3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)] -2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-D-glucopyranose | C31H52N2O23

6-Deoxy-α-D-galactopyranosyl-(1->4)-[(6R)-3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)] -2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-D-glucopyranose

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID57267745

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

6-Deoxy-α-D-galactopyranosyl-(1->4)-[(6R)-3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)] -2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-D-galactopyranosyl-(1->4)-[(6R)-3,5-didesoxy-5-[(Z)-(1-hydroxyethyliden)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3) ]-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-D-galactopyranosyl-(1->4)-[(6R)-3,5-didésoxy-5-[(Z)-(1-hydroxyéthylidène)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3 )]-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-6-deoxy-α-D-galactopyranosyl-(1->4)-O-[O-3,5-dideoxy-5-[[(1Z)-1-hydroxyethylidene]amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;3)]-2-d eoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
S LEA

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1220.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 204.6±6.0 kJ/mol
Flash Point: 691.7±37.1 °C
Index of Refraction: 1.692
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 410 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 429.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement