ChemSpider 2D Image | (3-Deoxy-3-(3-Methoxy-Benzamido)-B-D-Galactopyranosyl)-(3-Deoxy-3-(3-Methoxy-Benzamido)-2-O-Sulfo-B-D-Galactopyranosyl)-Sulfide | C28H36N2O15S2

(3-Deoxy-3-(3-Methoxy-Benzamido)-B-D-Galactopyranosyl)-(3-Deoxy-3-(3-Methoxy-Benzamido)-2-O-Sulfo-B-D-Galactopyranosyl)-Sulfide

  • Molecular FormulaC28H36N2O15S2
  • Average mass704.720 Da
  • Monoisotopic mass704.155701 Da
  • ChemSpider ID35035980
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3-Deoxy-3-(3-Methoxy-Benzamido)-B-D-Galactopyranosyl)-(3-Deoxy-3-(3-Methoxy-Benzamido)-2-O-Sulfo-B-D-Galactopyranosyl)-Sulfide
3-Deoxy-3-[(3-methoxybenzoyl)amino]-β-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-2-O-sulfo-1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
3-Désoxy-3-[(3-méthoxybenzoyl)amino]-2-O-sulfo-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]-2-O-sulfo-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, 3-deoxy-3-[(3-methoxybenzoyl)amino]-β-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-1-thio-, 2-(hydrogen sulfate) [ACD/Index Name]
GMK

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 432.4±5.0 cm3

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