Found 4 results

Search term: C29H56N2O9 (Found by molecular formula)
ChemSpider 2D Image | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,5R,6R)-5-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-4,7,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotet radecan-2-one (non-preferred name) | C29H56N2O9

(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,5R,6R)-5-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-4,7,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotet radecan-2-one (non-preferred name)

  • Molecular FormulaC29H56N2O9
  • Average mass576.763 Da
  • Monoisotopic mass576.398560 Da
  • ChemSpider ID107447553

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,5R,6R)-5-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-4,7,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotet radecan-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,5R,6R)-5-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-4,7,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotet radecan-2-one (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-Amino-6-{[(2S,3R,5R,6R)-5-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-4,7,12,13-tétrahydroxy-3,5,7,9,11,13-hexaméthyloxacyclotét radécan-2-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

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