ChemSpider 2D Image | Bis-(3-Deoxy-3-(3-Methoxy-Benzamido)-B-D-Galactopyranosyl)-Sulfide | C28H36N2O12S

Bis-(3-Deoxy-3-(3-Methoxy-Benzamido)-B-D-Galactopyranosyl)-Sulfide

  • Molecular FormulaC28H36N2O12S
  • Average mass624.657 Da
  • Monoisotopic mass624.198914 Da
  • ChemSpider ID9709420

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-Deoxy-3-[(3-methoxybenzoyl)amino]-β-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
3-Désoxy-3-[(3-méthoxybenzoyl)amino]-1-thio-β-D-galactopyranoside de 3-désoxy-3-[(3-méthoxybenzoyl)amino]-β-D-galactopyranosyle [French] [ACD/IUPAC Name]
3-Desoxy-3-[(3-methoxybenzoyl)amino]-β-D-galactopyranosyl-3-desoxy-3-[(3-methoxybenzoyl)amino]-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Bis-(3-Deoxy-3-(3-Methoxy-Benzamido)-B-D-Galactopyranosyl)-Sulfide
β-D-Galactopyranoside, 3-deoxy-3-[(3-methoxybenzoyl)amino]-β-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-1-thio- [ACD/Index Name]
70B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503116/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 981.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.9±3.0 kJ/mol
Flash Point: 547.6±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.78
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.78
Polar Surface Area: 242 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

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