ChemSpider 2D Image | (6S,7S)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(cyclopentyloxy)imino]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyli c acid | C20H24N10O7S2

(6S,7S)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(cyclopentyloxy)imino]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyli c acid

  • Molecular FormulaC20H24N10O7S2
  • Average mass580.597 Da
  • Monoisotopic mass580.127075 Da
  • ChemSpider ID28505917

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7S)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(cyclopentyloxy)imino]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäur e [German] [ACD/IUPAC Name]
(6S,7S)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(cyclopentyloxy)imino]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyli c acid [ACD/IUPAC Name]
4-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(cyclopentyloxy)imino]-1-oxoethyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo -, (6S,7S)- [ACD/Index Name]
Acide (6S,7S)-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(cyclopentyloxy)imino]acétyl}amino)-3-({[1-(2-hydroxyéthyl)-1H-tétrazol-5-yl]sulfanyl}méthyl)-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ène-2-car boxylique [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.904
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 105.1±7.0 dyne/cm
Molar Volume: 291.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement