ChemSpider 2D Image | erythromycin C(1+) | C36H66NO13

erythromycin C(1+)

  • Molecular FormulaC36H66NO13
  • Average mass720.908 Da
  • Monoisotopic mass720.452881 Da
  • ChemSpider ID27471428

  • Charge - Charge

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclot etradecan-6-yl]oxy}-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclot etradecan-6-yl]oxy}-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacyclot étradécan-6-yl]oxy}-3-hydroxy-N,N,6-triméthyltétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]
erythromycin C(1+)
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,1
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
1,13-hexamethyloxacyclotetradecane-2,10-dione
erythromycin C
erythromycin C cation

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

CHEBI:64258 [DBID]
  • Miscellaneous

    • Chemical Class:

      An erythromycin cation that is the conjugate acid of erythromycin C, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; maj or species at pH 7.3. ChEBI CHEBI:64258

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

Density:
Boiling Point: 826.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 453.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 33.26
Polar Surface Area: 206 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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