ChemSpider 2D Image | (2R,3S,4S,5R,8R,10R,11R,12S,13R,14R)-11-[(4,6-Dideoxy-beta-D-erythro-hexopyranosyl-3-ulose)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideo xy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside | C36H65NO13

(2R,3S,4S,5R,8R,10R,11R,12S,13R,14R)-11-[(4,6-Dideoxy-β-D-erythro-hexopyranosyl-3-ulose)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideo xy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside

  • Molecular FormulaC36H65NO13
  • Average mass719.900 Da
  • Monoisotopic mass719.445618 Da
  • ChemSpider ID62990389

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2R,3S,4S,5R,8R,10R,11R,12S,13R,14R)-11-[(4,6-Dideoxy-β-D-erythro-hexopyranosyl-3-ulose)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideo xy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
(2R,3S,4S,5R,8R,10R,11R,12S,13R,14R)-11-[(4,6-Didesoxy-β-D-erythro-hexopyranosyl-3-ulose)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-13-yl-2,6-dide soxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
1-Oxa-6-azacyclopentadecan-15-one, 11-[(4,6-dideoxy-β-D-erythro-hexopyranosyl-3-ulose)oxy]-13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,1 0,12,14-heptamethyl-, (2R,3S,4S,5R,8R,10R,11R,12S,13R,14R)- [ACD/Index Name]
2,6-Didésoxy-3-C-méthyl-3-O-méthyl-α-L-ribo-hexopyranoside de (2R,3S,4S,5R,8R,10R,11R,12S,13R,14R)-11-[(4,6-didésoxy-β-D-érythro-hexopyranosyl-3-ulose)oxy]-2-éthyl-3,4,10-trihydroxy-3,5,6,8,10, 12,14-heptaméthyl-15-oxo-1-oxa-6-azacyclopentadécan-13-yle [French] [ACD/IUPAC Name]
612069-25-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.2±6.0 kJ/mol
Flash Point: 451.6±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: 2.70
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 29.47
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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