ChemSpider 2D Image | (2R,3S,5R,10R,11R,12S,13S,14R)-13-[(2-Deoxy-2-methyl-4-C-methyl-4-O-methyl-D-arabinopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 4,6-di deoxy-beta-D-erythro-hexopyranosid-3-ulose | C36H65NO13

(2R,3S,5R,10R,11R,12S,13S,14R)-13-[(2-Deoxy-2-methyl-4-C-methyl-4-O-methyl-D-arabinopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 4,6-di deoxy-β-D-erythro-hexopyranosid-3-ulose

  • Molecular FormulaC36H65NO13
  • Average mass719.900 Da
  • Monoisotopic mass719.445618 Da
  • ChemSpider ID9449090

  • defined stereocentres - 14 of 17 defined stereocentres

More details:

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

(2R,3S,5R,10R,11R,12S,13S,14R)-13-[(2-Deoxy-2-methyl-4-C-methyl-4-O-methyl-D-arabinopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 4,6-di ;deoxy-β-D-erythro-hexopyranosid-3-ulose [ACD/IUPAC Name]
(2R,3S,5R,10R,11R,12S,13S,14R)-13-[(2-Desoxy-2-methyl-4-C-methyl-4-O-methyl-D-arabinopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl-4,6-d ;idesoxy-β-D-erythro-hexopyranosid-3-ulose [German] [ACD/IUPAC Name]
1-Oxa-6-azacyclopentadecan-15-one, 13-[(2-deoxy-2-methyl-4-C-methyl-4-O-methyl-D-arabinopyranosyl)oxy]-11-[(4,6-dideoxy-β-D-erythro-hexopyranosyl-3-ulose)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,1 2,14-heptamethyl-, (2R,3S,5R,10R,11R,12S,13S,14R)- [ACD/Index Name]
4,6-Didésoxy-β-D-érythro-hexopyranosid-3-ulose de (2R,3S,5R,10R,11R,12S,13S,14R)-13-[(2-désoxy-2-méthyl-4-C-méthyl-4-O-méthyl-D-arabinopyranosyl)oxy]-2-éthyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-hept améthyl-15-oxo-1-oxa-6-azacyclopentadécan-11-yle [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: 827.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.8±6.0 kJ/mol
Flash Point: 454.2±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 184.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 28.91
Polar Surface Area: 194 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 590.6±5.0 cm3

Click to predict properties on the Chemicalize site


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