ChemSpider 2D Image | METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO-6,2-PYRANOSIDE | C7H12O5S

METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO-6,2-PYRANOSIDE

  • Molecular FormulaC7H12O5S
  • Average mass208.232 Da
  • Monoisotopic mass208.040543 Da
  • ChemSpider ID26330301

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Thio-β-L-gluco-hexodialdo-1,5-pyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-thio-β-L-gluco-hexodialdo-1,5-pyranoside [ACD/IUPAC Name]
METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO-6,2-PYRANOSIDE
β-L-gluco-Hexodialdo-1,5-pyranoside, methyl 6-thio- [ACD/Index Name]
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carbothialdehyde

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

Density: 1.5±0.1 g/cm3
Boiling Point: 393.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.4±6.0 kJ/mol
Flash Point: 192.0±30.7 °C
Index of Refraction: 1.599
Molar Refractivity: 47.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.16
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.16
Polar Surface Area: 111 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 139.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement