ChemSpider 2D Image | erythromycin D(1+) | C36H66NO12

erythromycin D(1+)

  • Molecular FormulaC36H66NO12
  • Average mass704.908 Da
  • Monoisotopic mass704.457947 Da
  • ChemSpider ID26606381

  • 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,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetra decan-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,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetra decan-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,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12-dihydroxy-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacyclotétra décan-6-yl]oxy}-3-hydroxy-N,N,6-triméthyltétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]
erythromycin D(1+)
Erythromycin D
erythromycin D(+1)

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

CHEBI:63677 [DBID]
  • Miscellaneous

    • Chemical Class:

      An erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3. ChEBI CHEBI:63677

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

Density:
Boiling Point: 815.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.9±6.0 kJ/mol
Flash Point: 446.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 6.32
ACD/KOC (pH 7.4): 79.89
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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