ChemSpider 2D Image | Methyl N-[({(Z)-[(1aR,2E,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino}oxy)acetyl]glycinate | C23H25ClN2O9

Methyl N-[({(Z)-[(1aR,2E,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino}oxy)acetyl]glycinate

  • Molecular FormulaC23H25ClN2O9
  • Average mass508.906 Da
  • Monoisotopic mass508.124847 Da
  • ChemSpider ID9082600

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Glycine, N-[2-[[[(1aR,2E,4E,6Z,14R,15aR)-8-chloro-1a,7,12,14,15,15a-hexahydro-9,11-dihydroxy-14-methyl-12-oxo-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino]oxy]acetyl]-, methyl ester [ACD/Index Name]
Methyl N-[({(Z)-[(1aR,2E,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino}oxy)acetyl]glycinate [ACD/IUPAC Name]
Methyl-N-[({(Z)-[(1aR,2E,4E,14R,15aR)-8-chlor-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-yliden]amino}oxy)acetyl]glycinat [German] [ACD/IUPAC Name]
N-[2-({(Z)-[(1aR,2E,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-méthyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxiréno[e][2]benzoxacyclotétradécin-6-ylidène]amino}oxy)acétyl]glycinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 34.85
ACD/KOC (pH 5.5): 415.61
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 19.93
Polar Surface Area: 156 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site


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