ChemSpider 2D Image | CEPHALOTHIN GROUP | C16H18N2O6S2

CEPHALOTHIN GROUP

  • Molecular FormulaC16H18N2O6S2
  • Average mass398.454 Da
  • Monoisotopic mass398.060638 Da
  • ChemSpider ID25058774
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-5-(2-Methoxy-2-oxoethyl)-2-{(1R)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-5-(2-Methoxy-2-oxoethyl)-2-{(1R)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-5-acetic acid, 4-carboxy-3,6-dihydro-2-[(1R)-2-oxo-1-[[2-(2-thienyl)acetyl]amino]ethyl]-, α-methyl ester, (2R)- [ACD/Index Name]
Acide (2R)-5-(2-méthoxy-2-oxoéthyl)-2-[(1R)-2-oxo-1-{[2-(2-thiényl)acétyl]amino}éthyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]
CEPHALOTHIN GROUP
(2R)-5-(2-methoxy-2-oxoethyl)-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-3,6-dihydro-2H-1,3-thiazine-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: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.48
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 283.1±3.0 cm3

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