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Search term: 27022788 (Found by CSID)
ChemSpider 2D Image | pulicatin B | C11H13NO2S

pulicatin B

  • Molecular FormulaC11H13NO2S
  • Average mass223.291 Da
  • Monoisotopic mass223.066696 Da
  • ChemSpider ID27022788

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(4S,5S)-4-(Hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol [German] [ACD/IUPAC Name]
2-[(4S,5S)-4-(Hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol [ACD/IUPAC Name]
2-[(4S,5S)-4-(Hydroxyméthyl)-5-méthyl-4,5-dihydro-1,3-thiazol-2-yl]phénol [French] [ACD/IUPAC Name]
4-Thiazolemethanol, 4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-, (4S,5S)- [ACD/Index Name]
pulicatin 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: 400.1±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.8±30.4 °C
Index of Refraction: 1.652
Molar Refractivity: 60.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.83
ACD/KOC (pH 5.5): 122.60
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 113.73
Polar Surface Area: 78 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 165.6±7.0 cm3

Click to predict properties on the Chemicalize site


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