ChemSpider 2D Image | S-Methyl 2-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-4-hydroxy-6-isopropyl-3,5-dimethylbenzenecarbothioate | C19H28O7S

S-Methyl 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-4-hydroxy-6-isopropyl-3,5-dimethylbenzenecarbothioate

  • Molecular FormulaC19H28O7S
  • Average mass400.486 Da
  • Monoisotopic mass400.155579 Da
  • ChemSpider ID35517077

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(6-Désoxy-α-L-mannopyranosyl)oxy]-4-hydroxy-6-isopropyl-3,5-diméthylbenzènecarbothioate de S-méthyle [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-4-hydroxy-3,5-dimethyl-6-(1-methylethyl)-, S-methyl ester [ACD/Index Name]
S-Methyl 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-4-hydroxy-6-isopropyl-3,5-dimethylbenzenecarbothioate [ACD/IUPAC Name]
S-Methyl-2-[(6-desoxy-α-L-mannopyranosyl)oxy]-4-hydroxy-6-isopropyl-3,5-dimethylbenzolcarbothioat [German] [ACD/IUPAC Name]
Suncheonoside A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.09
ACD/KOC (pH 5.5): 416.38
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 25.53
ACD/KOC (pH 7.4): 331.22
Polar Surface Area: 142 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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