ChemSpider 2D Image | [(2R,3R,7R,8S,9S,10R,12R,14E)-3-Ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-9-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-D-ribo-hexopyranosyl)-3-(dimethylamino)-alpha-L-arabin o-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-2-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside | C46H77NO17

[(2R,3R,7R,8S,9S,10R,12R,14E)-3-Ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-9-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-D-ribo-hexopyranosyl)-3-(dimethylamino)-α-L-arabin o-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-2-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside

  • Molecular FormulaC46H77NO17
  • Average mass916.100 Da
  • Monoisotopic mass915.519165 Da
  • ChemSpider ID8503891

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 20 of 22 defined stereocentres

More details:

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

[(2R,3R,7R,8S,9S,10R,12R,14E)-3-Ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-9-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-D-ribo-hexopyranosyl)-3-(dimethylamino)-α-L-arabin o-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-2-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3R,7R,8S,9S,10R,12R,14E)-3-Ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-9-{[2,3,6-tridesoxy-4-O-(2,6-didesoxy-3-C-methyl-α-D-ribo-hexopyranosyl)-3-(dimethylamino)-α-L-arab ino-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-2-yl]methyl-6-desoxy-2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 2-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-3-ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-9-[[2,3,6-trideoxy-4-O-(2,6-dideo xy-3-C-methyl-α-D-ribo-hexopyranosyl)-3-(dimethylamino)-α-L-arabino-hexopyranosyl]oxy]-, (2R,3R,7R,8S,9S,10R,12R,14E)- [ACD/Index Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(2R,3R,7R,8S,9S,10R,12R,14E)-3-éthyl-7-hydroxy-8,12,16-triméthyl-5,13-dioxo-10-(2-oxoéthyl)-9-{[2,3,6-tridésoxy-4-O-(2,6-didésoxy-3-C-méthyl-α-D- ribo-hexopyranosyl)-3-(diméthylamino)-α-L-arabino-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-2-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 959.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.4±6.0 kJ/mol
Flash Point: 534.1±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 232.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 59.02
Polar Surface Area: 231 Å2
Polarizability: 92.1±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 732.4±5.0 cm3

Click to predict properties on the Chemicalize site


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