ChemSpider 2D Image | Ethyl (2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-di
oxooxacyclotetradecan-6-yl]oxy}-6-methyl-4-{methyl[(~13~C,~2~H_3_)methyl]amino}tetrahydro-2H-pyran-3-yl succinate (non-preferred name) | C4213CH72D3NO16

Ethyl (2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-di oxooxacyclotetradecan-6-yl]oxy}-6-methyl-4-{methyl[(13C,2H3)methyl]amino}tetrahydro-2H-pyran-3-yl succinate (non-preferred name)

  • Molecular FormulaC4213CH72D3NO16
  • Average mass866.064 Da
  • Monoisotopic mass865.530762 Da
  • ChemSpider ID107446564
  • defined stereocentres - 18 of 18 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

Ethyl (2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-di ;oxooxacyclotetradecan-6-yl]oxy}-6-methyl-4-{methyl[(13C,2H3)methyl]amino}tetrahydro-2H-pyran-3-yl succinate (non-preferred name) [ACD/IUPAC Name]
Ethyl-(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-di ;oxooxacyclotetradecan-6-yl]oxy}-6-methyl-4-{methyl[(13C,2H3)methyl]amino}tetrahydro-2H-pyran-3-yl-succinat (non-preferred name) [German] [ACD/IUPAC Name]
Succinate d'éthyle et de (2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-éthyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13 ;-hexaméthyl-2,10-dioxooxacyclotétradécan-6-yl]oxy}-6-méthyl-4-{méthyl[(13C,2H3)méthyl]amino}tétrahydro-2H-pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]
222180-20-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.529
Molar Refractivity: 219.1±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 711.0±5.0 cm3

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