Found 34 results

Search term: MF = 'C_{23}H_{35}N_{3}O_{8}S'
ChemSpider 2D Image | 1-[(Isopropoxycarbonyl)oxy]ethyl (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C23H35N3O8S

1-[(Isopropoxycarbonyl)oxy]ethyl (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

  • Molecular FormulaC23H35N3O8S
  • Average mass513.604 Da
  • Monoisotopic mass513.214478 Da
  • ChemSpider ID30824635

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(4R,5S,6S)-3-{[(3S,5S)-5-(Diméthylcarbamoyl)-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyéthyl]-4-méthyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylate de 1-[(isopropoxycarbonyl)oxy]éthyle [French] [ACD/IUPAC Name]
1-[(Isopropoxycarbonyl)oxy]ethyl (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate [ACD/IUPAC Name]
1-[(Isopropoxycarbonyl)oxy]ethyl-(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-carboxylat [German] [ACD/IUPAC Name]
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (4R ,5S,6S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 359.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 160 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 384.4±5.0 cm3

Click to predict properties on the Chemicalize site


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