ChemSpider 2D Image | (1R,3E,5S,7S,8S,9R,13R,14S,15S,16R,18S)-9-Ethyl-13,18-dihydroxy-1,5,8,14-tetramethyl-2,11-dioxo-6,10-dioxatricyclo[14.2.1.0~5,7~]nonadec-3-en-15-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyr anoside | C31H51NO9

(1R,3E,5S,7S,8S,9R,13R,14S,15S,16R,18S)-9-Ethyl-13,18-dihydroxy-1,5,8,14-tetramethyl-2,11-dioxo-6,10-dioxatricyclo[14.2.1.05,7]nonadec-3-en-15-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyr anoside

  • Molecular FormulaC31H51NO9
  • Average mass581.738 Da
  • Monoisotopic mass581.356384 Da
  • ChemSpider ID9932672

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,3E,5S,7S,8S,9R,13R,14S,15S,16R,18S)-9-Ethyl-13,18-dihydroxy-1,5,8,14-tetramethyl-2,11-dioxo-6,10-dioxatricyclo[14.2.1.05,7]nonadec-3-en-15-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyr
 anoside [ACD/IUPAC Name]
(1R,3E,5S,7S,8S,9R,13R,14S,15S,16R,18S)-9-Ethyl-13,18-dihydroxy-1,5,8,14-tetramethyl-2,11-dioxo-6,10-dioxatricyclo[14.2.1.05,7]nonadec-3-en-15-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopy
 ranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (1R,3E,5S,7S,8S,9R,13R,14S,15S,16R,18S)-9-éthyl-13,18-dihydroxy-1,5,8,14-tétraméthyl-2,11-dioxo-6,10-dioxatricyclo[14.2.1.05,7]nonadéc -3-én-15-yle [French] [ACD/IUPAC Name]
6,10-Dioxatricyclo[14.2.1.05,7]nonadec-3-ene-2,11-dione, 9-ethyl-13,18-dihydroxy-1,5,8,14-tetramethyl-15-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (1R,3E,5S,7S,8S,9R,13R,14
 S,15S,16R,18S)- [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: 738.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 37.98
Polar Surface Area: 138 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 477.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement