ChemSpider 2D Image | Ethyl N-{[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}glycinate | C25H38N4O8

Ethyl N-{[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}glycinate

  • Molecular FormulaC25H38N4O8
  • Average mass522.591 Da
  • Monoisotopic mass522.268982 Da
  • ChemSpider ID8228019

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Ethyl N-{[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-7-(1-methylethyl)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]carbonyl]-, ethyl ester [ACD/Index Name]
N-{[(3R,4S,7S,10S,11R)-3-Éthyl-11,15-dihydroxy-7-isopropyl-3-méthyl-10-(méthylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadéca-1(16),12,14-trién-4-yl]carbonyl}glycinate d'éthyle [French] [ACD/IUPAC 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: 813.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.5±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.38
Polar Surface Area: 175 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

Click to predict properties on the Chemicalize site


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