ChemSpider 2D Image | (2S,3S,5S,10S,12S,13R,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-1-oxa-7-azacyclopentadecan-11-y l (1S)-3,4,6-trideoxy-3-(dimethylamino)hexopyranoside | C40H76N2O12

(2S,3S,5S,10S,12S,13R,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-1-oxa-7-azacyclopentadecan-11-y l (1S)-3,4,6-trideoxy-3-(dimethylamino)hexopyranoside

  • Molecular FormulaC40H76N2O12
  • Average mass777.038 Da
  • Monoisotopic mass776.539856 Da
  • ChemSpider ID57425774

  • defined stereocentres - 10 of 18 defined stereocentres

More details:

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

(1S)-3,4,6-Tridésoxy-3-(diméthylamino)hexopyranoside de (2S,3S,5S,10S,12S,13R,14R)-13-[(2,6-didésoxy-3-C-méthyl-3-O-méthyl-α-L-glycéro-hexopyranosyl)oxy]-2-éthyl-3,4,10-trihydroxy-3,5,8,10,12,14-h examéthyl-15-oxo-7-propyl-1-oxa-7-azacyclopentadécan-11-yle [French] [ACD/IUPAC Name]
(2S,3S,5S,10S,12S,13R,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-1-oxa-7-azacyclopentadecan-11-y l (1S)-3,4,6-trideoxy-3-(dimethylamino)hexopyranoside [ACD/IUPAC Name]
(2S,3S,5S,10S,12S,13R,14R)-13-[(2,6-Didesoxy-3-C-methyl-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-1-oxa-7-azacyclopentadecan-11- yl-(1S)-3,4,6-tridesoxy-3-(dimethylamino)hexopyranosid [German] [ACD/IUPAC Name]
1-Oxa-7-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-7-propyl-11-[[(1S)-3,4,6-trideoxy-3-(di methylamino)hexopyranosyl]oxy]-, (2S,3S,5S,10S,12S,13R,14R)- [ACD/Index Name]
(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-7-propyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
145435-72-9 [RN]
ML 1709460

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

Density: 1.2±0.1 g/cm3
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.7±6.0 kJ/mol
Flash Point: 457.6±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 206.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.89
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 19.40
Polar Surface Area: 180 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 664.6±5.0 cm3

Click to predict properties on the Chemicalize site


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