ChemSpider 2D Image | (2R,3S,4R,5S,8R,10R,11R,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadecan-13- yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside | C40H76N2O12

(2R,3S,4R,5S,8R,10R,11R,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadecan-13- yl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside

  • Molecular FormulaC40H76N2O12
  • Average mass777.038 Da
  • Monoisotopic mass776.539856 Da
  • ChemSpider ID30791798

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(2R,3S,4R,5S,8R,10R,11R,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadecan-13- yl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
(2R,3S,4R,5S,8R,10R,11R,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadecan-13 -yl-2,6-didesoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
1-Oxa-7-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-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-(dimethylam ino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5S,8R,10R,11R,13S,14R)- [ACD/Index Name]
2,6-Didésoxy-3-C-méthyl-3-O-méthyl-α-L-ribo-hexopyranoside de (2R,3S,4R,5S,8R,10R,11R,13S,14R)-2-éthyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexaméthyl-15-oxo-7-propyl-11-{[3,4,6-tridésoxy-3-(diméthyla mino)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-7-azacyclopentadécan-13-yle [French] [ACD/IUPAC Name]
(2R,3S,4R,5S,8R,10R,11R,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,8,10,12,14-hexamethyl-7-propyl-1-oxa-7-azacyclopentadeca
145435-72-9 [RN]
Gamithromycin [INN] [USAN]

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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