ChemSpider 2D Image | (2S,3R,4S,6R)-4-(Dimethylamino)-2-{[(3R,5R,6R,7R,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl b enzoate (non-preferred name) | C37H55NO10

(2S,3R,4S,6R)-4-(Dimethylamino)-2-{[(3R,5R,6R,7R,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl b enzoate (non-preferred name)

  • Molecular FormulaC37H55NO10
  • Average mass673.833 Da
  • Monoisotopic mass673.382568 Da
  • ChemSpider ID50645403

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,3R,4S,6R)-4-(Dimethylamino)-2-{[(3R,5R,6R,7R,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl b enzoate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,6R)-4-(Dimethylamino)-2-{[(3R,5R,6R,7R,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl]oxy}-6-methyltetrahydro-2H-pyran-3-yl-b enzoat (non-preferred name) [German] [ACD/IUPAC Name]
Benzoate de (2S,3R,4S,6R)-4-(diméthylamino)-2-{[(3R,5R,6R,7R,9R,11Z,13S,14R)-14-éthyl-13-hydroxy-7-méthoxy-3,5,7,9,11,13-hexaméthyl-2,4,10-trioxooxacyclotétradéc-11-én-6-yl]oxy}-6-méthyltétrahydro-2H- pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]
160145-82-4 [RN]
3-De[(2,6-dideoxy-3-C-methyl-3-o-methyl-a-L-ribo-hexopyranosyl)oxy]-10,11-didehydro-11-deoxy-6-o-methyl-3-oxo-erythromycin 2'-acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 180.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 27.42
ACD/KOC (pH 5.5): 90.56
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1305.19
ACD/KOC (pH 7.4): 4310.62
Polar Surface Area: 138 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 575.8±5.0 cm3

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