ChemSpider 2D Image | 4-S-(6-O-Phosphono-alpha-L-idopyranosyl)-4-thio-beta-D-glucopyranose | C12H23O13PS

4-S-(6-O-Phosphono-α-L-idopyranosyl)-4-thio-β-D-glucopyranose

  • Molecular FormulaC12H23O13PS
  • Average mass438.342 Da
  • Monoisotopic mass438.059692 Da
  • ChemSpider ID35033627

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-S-(6-O-Phosphono-α-L-idopyranosyl)-4-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
4-S-(6-O-Phosphono-α-L-idopyranosyl)-4-thio-β-D-glucopyranose [ACD/IUPAC Name]
4-S-(6-O-Phosphono-α-L-idopyranosyl)-4-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 4-S-(6-O-phosphono-α-L-idopyranosyl)-4-thio- [ACD/Index Name]
1FT

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

Density: 1.9±0.1 g/cm3
Boiling Point: 816.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.1±6.0 kJ/mol
Flash Point: 447.7±37.1 °C
Index of Refraction: 1.681
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -5.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 124.5±5.0 dyne/cm
Molar Volume: 230.3±5.0 cm3

Click to predict properties on the Chemicalize site


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