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Search term: 26390342 (Found by CSID)
ChemSpider 2D Image | watasemycin B | C16H20N2O3S2

watasemycin B

  • Molecular FormulaC16H20N2O3S2
  • Average mass352.472 Da
  • Monoisotopic mass352.091522 Da
  • ChemSpider ID26390342

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4S)-2-[(4R,5S)-2-(2-Hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]-3,4-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S)-2-[(4R,5S)-2-(2-Hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]-3,4-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(4R,5S)-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-4-thiazolyl]-3,4-dimethyl-, (2R,4S)- [ACD/Index Name]
Acide (2R,4S)-2-[(4R,5S)-2-(2-hydroxyphényl)-5-méthyl-4,5-dihydro-1,3-thiazol-4-yl]-3,4-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
watasemycin B
(2R,4S)-2-[(4R,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydrothiazol-4-yl]-3,4-dimethyl-thiazolidine-4-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.6±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 124 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 243.8±7.0 cm3

Click to predict properties on the Chemicalize site


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