ChemSpider 2D Image | (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9 ,11,13-hexamethyloxacyclotetradecane-2,10-dione | C37H67NO12

(3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9 ,11,13-hexamethyloxacyclotetradecane-2,10-dione

  • Molecular FormulaC37H67NO12
  • Average mass717.927 Da
  • Monoisotopic mass717.466309 Da
  • ChemSpider ID10252

  • defined stereocentres - 9 of 18 defined stereocentres

More details:

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

(3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9 ,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9 ,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-{[4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12-dihydroxy-4-[(5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-3,5,7,9 ,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]
(3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLOXAN-2-YL]OXY}-14-ETHYL-7,12-DIHYDROXY-4-[(5-HYDROXY-4-METHOXY-4,6-DIMETHYLOXAN-2-YL)OXY]-3,5,7,9,11,13-HEXAMETHYL-1-OXACYCLOTETRADECANE-2,10-DIONE
12-deoxyerythromycin
34140-61-9 [RN]
6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
beritromicina [Spanish] [INN]
berythromycin [USAN]
Berythromycin [USAN:INN] [INN] [USAN]
More...

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

Abbot 24091 [DBID]
AIDS166750 [DBID]
AIDS-166750 [DBID]
BRN 5206722 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 442.2±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 187.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 17.93
ACD/KOC (pH 7.4): 168.57
Polar Surface Area: 174 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 610.2±5.0 cm3

Click to predict properties on the Chemicalize site


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