ChemSpider 2D Image | S-Methyl 2-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-6-isopropyl-4-methoxy-3,5-dimethylbenzenecarbothioate | C20H30O7S

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

  • Molecular FormulaC20H30O7S
  • Average mass414.513 Da
  • Monoisotopic mass414.171234 Da
  • ChemSpider ID35517078

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.7±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.71
ACD/KOC (pH 5.5): 665.53
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.71
ACD/KOC (pH 7.4): 665.52
Polar Surface Area: 131 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

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