ChemSpider 2D Image | 2-Iodobenzyl 4-O-beta-D-glucopyranosyl-1-thio-beta-D-glucopyranoside | C19H27IO10S

2-Iodobenzyl 4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranoside

  • Molecular FormulaC19H27IO10S
  • Average mass574.381 Da
  • Monoisotopic mass574.036926 Da
  • ChemSpider ID169613

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Iodbenzyl-4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Iodobenzyl 4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-1-thio-β-D-glucopyranoside de 2-iodobenzyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2-iodophenyl)methyl 4-O-β-D-glucopyranosyl-1-thio- [ACD/Index Name]
130421-98-6 [RN]
2-Iodobenzyl-1-thiocellobioside
Ibtc ligand
o-Iodobenzyl-1-thio-β-cellobioside

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

Density: 1.9±0.1 g/cm3
Boiling Point: 786.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.76
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.76
Polar Surface Area: 195 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

Click to predict properties on the Chemicalize site


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