ChemSpider 2D Image | ecteinamycin | C38H60O12

ecteinamycin

  • Molecular FormulaC38H60O12
  • Average mass708.876 Da
  • Monoisotopic mass708.408447 Da
  • ChemSpider ID62453214

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

3-{[(2S,3S,5S,6R)-6-{(2S,3S,4S,6S)-4-Ethyl-6-[(2R,5R)-5-ethyl-5-{(2R,5R,6R)-5-hydroxy-5-[(1S)-1-methoxyethyl]-6-methyltetrahydro-2H-pyran-2-yl}tetrahydro-2-furanyl]-3,6-dihydroxy-5-oxo-2-heptanyl}-3,5 -dimethyltetrahydro-2H-pyran-2-yl]acetyl}-4-hydroxy-5-methylen-2(5H)-furanon [German] [ACD/IUPAC Name]
3-{[(2S,3S,5S,6R)-6-{(2S,3S,4S,6S)-4-Ethyl-6-[(2R,5R)-5-ethyl-5-{(2R,5R,6R)-5-hydroxy-5-[(1S)-1-methoxyethyl]-6-methyltetrahydro-2H-pyran-2-yl}tetrahydro-2-furanyl]-3,6-dihydroxy-5-oxo-2-heptanyl}-3,5 -dimethyltetrahydro-2H-pyran-2-yl]acetyl}-4-hydroxy-5-methylene-2(5H)-furanone [ACD/IUPAC Name]
3-{2-[(2S,3S,5S,6R)-6-{(2S,3S,4S,6S)-4-Éthyl-6-[(2R,5R)-5-éthyl-5-{(2R,5R,6R)-5-hydroxy-5-[(1S)-1-méthoxyéthyl]-6-méthyltétrahydro-2H-pyran-2-yl}tétrahydro-2-furanyl]-3,6-dihydroxy-5-oxo-2-heptanyl}-3 ,5-diméthyltétrahydro-2H-pyran-2-yl]acétyl}-4-hydroxy-5-méthylène-2(5H)-furanone [French] [ACD/IUPAC Name]
D-gluco-L-galacto-L-ido-Heneicosos-11-ulose, 3,7:13,16:17,21-trianhydro-2,4,5,6,8,10,14,15,18,19-decadeoxy-1-(2,5-dihydro-4-hydroxy-5-methylene-2-oxo-3-furanyl)-10-ethyl-16-C-ethyl-20-C-[(1S)-1-methox yethyl]-4,6,8-trimethyl-12,21-di-C-methyl-, (21R)- [ACD/Index Name]
ecteinamycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 796.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 235.7±26.4 °C
Index of Refraction: 1.549
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 34.24
ACD/KOC (pH 5.5): 221.02
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.81
Polar Surface Area: 178 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 577.6±5.0 cm3

Click to predict properties on the Chemicalize site


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