ChemSpider 2D Image | [(2R,6Z,9R,11R,13S,14R)-12-{[3,6-Dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoet hyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside | C45H75NO17

[(2R,6Z,9R,11R,13S,14R)-12-{[3,6-Dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoet hyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-β-D-allopyranoside

  • Molecular FormulaC45H75NO17
  • Average mass902.073 Da
  • Monoisotopic mass901.503479 Da
  • ChemSpider ID95602106

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 21 defined stereocentres

More details:

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

[(2R,6Z,9R,11R,13S,14R)-12-{[3,6-Dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoet hyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,6Z,9R,11R,13S,14R)-12-{[3,6-Didesoxy-4-O-(2,6-didesoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxo ethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl-6-desoxy-2-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-méthyl-β-D-allopyranoside de [(2R,6Z,9R,11R,13S,14R)-12-{[3,6-didésoxy-4-O-(2,6-didésoxy-3-C-méthyl-α-L-ribo-hexopyranosyl)-3-(diméthylamino)-β-D-glucopyranosyl]oxy}-2-éthyl-14- hydroxy-5,9,13-triméthyl-8,16-dioxo-11-(2-oxoéthyl)oxacyclohexadéca-4,6-dién-3-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 15-[[(6-deoxy-2-O-methyl-β-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D- glucopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,7R,9R,11Z,16R)- [ACD/Index 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: 989.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.5±6.0 kJ/mol
Flash Point: 552.1±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 229.0±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 62.58
Polar Surface Area: 250 Å2
Polarizability: 90.8±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 710.6±5.0 cm3

Click to predict properties on the Chemicalize site


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