ChemSpider 2D Image | anhydroerythromycin A | C37H65NO12

anhydroerythromycin A

  • Molecular FormulaC37H65NO12
  • Average mass715.911 Da
  • Monoisotopic mass715.450684 Da
  • ChemSpider ID10297999

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1S,2R,3R,4R,5R,8R,9S,10S,11R,12R,14R)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-3-hydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahyd ;ro-2H-pyran-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-on [German] [ACD/IUPAC Name]
(1S,2R,3R,4R,5R,8R,9S,10S,11R,12R,14R)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-3-hydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahyd ;ro-2H-pyran-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one [ACD/IUPAC Name]
(1S,2R,3R,4R,5R,8R,9S,10S,11R,12R,14R)-11-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-éthyl-3-hydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahyd ;ro-2H-pyran-2-yl]oxy}-2,4,8,10,12,14-hexaméthyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadécan-7-one [French] [ACD/IUPAC Name]
anhydroerythromycin A
23893-13-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 429.9±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 185.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 17.15
ACD/KOC (pH 7.4): 165.24
Polar Surface Area: 155 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 590.8±5.0 cm3

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