ChemSpider 2D Image | N-[(1S,2R,3R,8R,9R,10R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-2,8,10,16,18-pentamethyl-13-methylene-5,7-dioxo-4,11,15-trioxa bicyclo[8.5.4]nonadec-17-ylidene]acetamide | C34H56N2O10

N-[(1S,2R,3R,8R,9R,10R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-2,8,10,16,18-pentamethyl-13-methylene-5,7-dioxo-4,11,15-trioxa bicyclo[8.5.4]nonadec-17-ylidene]acetamide

  • Molecular FormulaC34H56N2O10
  • Average mass652.816 Da
  • Monoisotopic mass652.393494 Da
  • ChemSpider ID9796363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

N-[(1S,2R,3R,8R,9R,10R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-2,8,10,16,18-pentamethyl-13-methylen-5,7-dioxo-4,11,15-trioxab icyclo[8.5.4]nonadec-17-yliden]acetamid [German] [ACD/IUPAC Name]
N-[(1S,2R,3R,8R,9R,10R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2-hydroxy-2,8,10,16,18-pentamethyl-13-methylene-5,7-dioxo-4,11,15-trioxa bicyclo[8.5.4]nonadec-17-ylidene]acetamide [ACD/IUPAC Name]
N-[(1S,2R,3R,8R,9R,10R,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-3-éthyl-2-hydroxy-2,8,10,16,18-pentaméthyl-13-méthylène-5,7-dioxo-4,11,15-trioxa bicyclo[8.5.4]nonadéc-17-ylidène]acétamide [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: 783.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 129.9±6.0 kJ/mol
Flash Point: 427.6±35.7 °C
Index of Refraction: 1.552
Molar Refractivity: 168.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 11.33
ACD/KOC (pH 7.4): 123.76
Polar Surface Area: 153 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 528.7±7.0 cm3

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