ChemSpider 2D Image | Methyl 3-deoxy-3-[(4-methylbenzoyl)amino]-2-O-sulfo-1-thio-beta-D-galactopyranoside | C15H21NO8S2

Methyl 3-deoxy-3-[(4-methylbenzoyl)amino]-2-O-sulfo-1-thio-β-D-galactopyranoside

  • Molecular FormulaC15H21NO8S2
  • Average mass407.459 Da
  • Monoisotopic mass407.070862 Da
  • ChemSpider ID25035528

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Désoxy-3-[(4-méthylbenzoyl)amino]-2-O-sulfo-1-thio-β-D-galactopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 3-deoxy-3-[(4-methylbenzoyl)amino]-2-O-sulfo-1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
Methyl-3-desoxy-3-[(4-methylbenzoyl)amino]-2-O-sulfo-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, methyl 3-deoxy-3-[(4-methylbenzoyl)amino]-1-thio-, 2-(hydrogen sulfate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 264.0±5.0 cm3

Click to predict properties on the Chemicalize site


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