Found 1 result

Search term: HWATWVYEWMIMSO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3S,4R,9R,10R,11S,12S,13R)-12-({2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-alpha-L-ribo-hexopyranosyl}oxy)-2-ethyl-3,4,9-trihydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-1-oxa-6-azacyclo tetradecan-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-ribo-hexopyranoside | C40H77N3O12

(2R,3S,4R,9R,10R,11S,12S,13R)-12-({2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-α-L-ribo-hexopyranosyl}oxy)-2-ethyl-3,4,9-trihydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-1-oxa-6-azacyclo tetradecan-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-ribo-hexopyranoside

  • Molecular FormulaC40H77N3O12
  • Average mass792.052 Da
  • Monoisotopic mass791.550720 Da
  • ChemSpider ID54868807

  • defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(2R,3S,4R,9R,10R,11S,12S,13R)-12-({2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-α-L-ribo-hexopyranosyl}oxy)-2-ethyl-3,4,9-trihydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-1-oxa-6-azacyclo tetradecan-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
(2R,3S,4R,9R,10R,11S,12S,13R)-12-({2,6-Didesoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-α-L-ribo-hexopyranosyl}oxy)-2-ethyl-3,4,9-trihydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-1-oxa-6-azacycl otetradecan-10-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
1-Oxa-6-azacyclotetradecan-14-one, 12-[[2,6-dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-α-L-ribo-hexopyranosyl]oxy]-2-ethyl-3,4,9-trihydroxy-3,5,7,9,11,13-hexamethyl-10-[[3,4,6-trideox y-3-(dimethylamino)-β-D-ribo-hexopyranosyl]oxy]-, (2R,3S,4R,9R,10R,11S,12S,13R)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-ribo-hexopyranoside de (2R,3S,4R,9R,10R,11S,12S,13R)-12-({2,6-didésoxy-3-C-méthyl-3-O-méthyl-4-C-[(propylamino)méthyl]-α-L-ribo-hexopyranosyl}oxy)-2-éthyl- 3,4,9-trihydroxy-3,5,7,9,11,13-hexaméthyl-14-oxo-1-oxa-6-azacyclotétradécan-10-yle [French] [ACD/IUPAC Name]
217500-96-4 [RN]
Tulathromycin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 845.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.8±6.0 kJ/mol
Flash Point: 465.3±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 210.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 672.9±5.0 cm3

Click to predict properties on the Chemicalize site


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