ChemSpider 2D Image | Tomopenem | C23H35N7O6S

Tomopenem

  • Molecular FormulaC23H35N7O6S
  • Average mass537.632 Da
  • Monoisotopic mass537.236938 Da
  • ChemSpider ID7985412

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,5S,6S)-3-{[(3S,5S)-5-({(3S)-3-[(N-Carbamimidoylglycyl)amino]-1-pyrrolidinyl}carbonyl)-1-methyl-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-carbon säure [German] [ACD/IUPAC Name]
(4R,5S,6S)-3-{[(3S,5S)-5-({(3S)-3-[(N-Carbamimidoylglycyl)amino]-1-pyrrolidinyl}carbonyl)-1-methyl-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbo xylic acid [ACD/IUPAC Name]
(4R,5S,6S)-3-{[(3S,5S)-5-({(3S)-3-[(N-carbamimidoylglycyl)amino]pyrrolidin-1-yl}carbonyl)-1-methylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
1654W9611T
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3S)-3-[[2-[(aminoiminomethyl)amino]acetyl]amino]-1-pyrrolidinyl]carbonyl]-1-methyl-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-meth yl-7-oxo-, (4R,5S,6S)- [ACD/Index Name]
1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3S)-3-[[2-[(aminoiminomethyl)amino]acetyl]amino]-1-pyrrolidinyl]carbonyl]-1-methyl-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
222400-20-6 [RN]
Acide (4R,5S,6S)-3-{[(3S,5S)-5-({(3S)-3-[(N-carbamimidoylglycyl)amino]-1-pyrrolidinyl}carbonyl)-1-méthyl-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyéthyl]-4-méthyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ène-2 -carboxylique [French] [ACD/IUPAC Name]
Tomopenem [USAN] [Wiki]
(4R,5S,6S)-3-(((3S,5S)-5-((S)-3-(2-Guanidinoacetamido)pyrrolidine-1-carbonyl)-1-methylpyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8735 [DBID]
CS-023 [DBID]
R-115685 [DBID]
R-1558 [DBID]
RO4908463 [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: 1.769
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.00
ACD/LogD (pH 5.5): -7.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 75.4±7.0 dyne/cm
Molar Volume: 319.2±7.0 cm3

Click to predict properties on the Chemicalize site


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