ChemSpider 2D Image | UNII:P3W8A2O400 | C16H21N3O5S

UNII:P3W8A2O400

  • Molecular FormulaC16H21N3O5S
  • Average mass367.420 Da
  • Monoisotopic mass367.120178 Da
  • ChemSpider ID32700670

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S)-2-[{[(2R)-2-Amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-[{[(2R)-2-Amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
1642629-93-3 [RN]
2-Thiazolidineacetic acid, α-[[(2R)-2-amino-2-phenylacetyl]amino]-4-carboxy-5,5-dimethyl-, (4S)- [ACD/Index Name]
Acide (4S)-2-[{[(2R)-2-amino-2-phénylacétyl]amino}(carboxy)méthyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
PENICILLOIC ACIDS OF AMPICILLIN
UNII:P3W8A2O400
(4S)-2-(((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
(4S)-2-(((R)-2-Amino-2-phenylacetamido)(carboxy)-methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
MFCD24682765
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 707.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 269.2±3.0 cm3

Click to predict properties on the Chemicalize site


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