ChemSpider 2D Image | (1S,2R,5R,6S,10R,11R,13R,15R,21S,22R)-5-Ethyl-2,6,11,13,15,21-hexamethyl-18-methylene-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.0~6,10~]docos-22-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D- xylo-hexopyranoside | C34H56N2O10

(1S,2R,5R,6S,10R,11R,13R,15R,21S,22R)-5-Ethyl-2,6,11,13,15,21-hexamethyl-18-methylene-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D- xylo-hexopyranoside

  • Molecular FormulaC34H56N2O10
  • Average mass652.816 Da
  • Monoisotopic mass652.393494 Da
  • ChemSpider ID7827998

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,2R,5R,6S,10R,11R,13R,15R,21S,22R)-5-Ethyl-2,6,11,13,15,21-hexamethyl-18-methylen-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-
 xylo-hexopyranosid [German] [ACD/IUPAC Name]
(1S,2R,5R,6S,10R,11R,13R,15R,21S,22R)-5-Ethyl-2,6,11,13,15,21-hexamethyl-18-methylene-3,8,12-trioxo-4,7,16,20-tetraoxa-9-azatricyclo[13.5.2.06,10]docos-22-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-
 xylo-hexopyranoside [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (1S,2R,5R,6S,10R,11R,13R,15R,21S,22R)-5-éthyl-2,6,11,13,15,21-hexaméthyl-18-méthylène-3,8,12-trioxo-4,7,16,20-tétraoxa-9-azatricyclo[13. 5.2.06,10]docos-22-yle [French] [ACD/IUPAC Name]
8,14-Ethano-6H,10H-[1,5,9]trioxacycloheptadecino[12,11-d]oxazole-2,6,17(1H,14H)-trione, 4-ethyldecahydro-3a,7,14,16,18,20-hexamethyl-11-methylene-19-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexo pyranosyl]oxy]-, (3aS,4R,7R,8S,14R,16R,18R,18aR,19R,20S)- [ACD/Index 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: 801.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.7±6.0 kJ/mol
Flash Point: 438.4±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 99.47
ACD/KOC (pH 7.4): 583.70
Polar Surface Area: 142 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 548.7±5.0 cm3

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