ChemSpider 2D Image | (1S)-2,3,6-Tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucitol | C26H37NO19S

(1S)-2,3,6-Tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-D-glucitol

  • Molecular FormulaC26H37NO19S
  • Average mass699.632 Da
  • Monoisotopic mass699.168030 Da
  • ChemSpider ID24635618
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S)-2,3,6-Tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,6-Tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-D-glucitol [ACD/IUPAC Name]
(1S)-2,3,6-Tri-O-acétyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tétra-O-acétyl-β-D-galactopyranosyl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1-C-(aminosulfonyl)-1,5-anhydro-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-, 2,3,6-triacetate, (1S)- [ACD/Index Name]
MFS

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.7±35.7 °C
Index of Refraction: 1.529
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.62
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 45.12
Polar Surface Area: 280 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 482.7±5.0 cm3

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