ChemSpider 2D Image | 9H7VJE7A17 | C24H28N6O10S

9H7VJE7A17

  • Molecular FormulaC24H28N6O10S
  • Average mass592.578 Da
  • Monoisotopic mass592.158752 Da
  • ChemSpider ID65019

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5R,6R)-6-((R)-2-(3,4-Dihydroxyphenyl)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)acetamido)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
(2S,5R,6R)-6-{[(2R)-2-(3,4-Dihydroxyphenyl)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}acetyl]amino}-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[(2R)-2-(3,4-Dihydroxyphenyl)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}acetyl]amino}-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-(3,4-dihydroxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
98048-07-8 [RN]
9H7VJE7A17
Acide (2S,5R,6R)-6-{[(2R)-2-(3,4-dihydroxyphényl)-2-{[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}acétyl]amino}-6-formamido-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
Fomidacillin
Formidacillin
(2S,5R,6R)-6-((R)-2-(3,4-Dihydroxyphenyl)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)acetamido)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5767 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 102.3±5.0 dyne/cm
Molar Volume: 354.2±5.0 cm3

Click to predict properties on the Chemicalize site


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