ChemSpider 2D Image | (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,4, 10-trione | C30H53NO10

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

  • Molecular FormulaC30H53NO10
  • Average mass587.742 Da
  • Monoisotopic mass587.366943 Da
  • ChemSpider ID4440665

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,4,1 0-trion [German] [ACD/IUPAC Name]
(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,4, 10-trione [ACD/IUPAC Name]
(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-12,13-dihydroxy-7-méthoxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,4, 10-trione [French] [ACD/IUPAC Name]
(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,4,10-trione (non-preferred name)
(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-((2S,3R,4S,6R)-4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione
6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione
RU56006

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

AIDS236223 [DBID]
AIDS-236223 [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: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 5.26
ACD/KOC (pH 7.4): 70.78
Polar Surface Area: 152 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 501.6±5.0 cm3

Click to predict properties on the Chemicalize site


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