ChemSpider 2D Image | Cethromycin | C42H59N3O10

Cethromycin

  • Molecular FormulaC42H59N3O10
  • Average mass765.932 Da
  • Monoisotopic mass765.420044 Da
  • ChemSpider ID21258204

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-11-{[(2E)-3-(3-Chinolinyl)-2-propen-1-yl]oxy}-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl-3,4, ;6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-(3-quinolinyl)-2-propen-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4, ;6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
205110-48-1 [RN]
2H-Oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone, 4-ethyloctahydro-3a,7,9,11,13,15-hexamethyl-11-[[(2E)-3-(3-quinolinyl)-2-propen-1-yl]oxy]-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D- xylo-hexopyranosyl]oxy]-, (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-éthyl-3a,7,9,11,13,15-hexaméthyl-2,6,8,14-tétraoxo-11-{[(2E)-3-(3-quinoléinyl)-2-propén-1-yl]oxy}t étradécahydro-2H-oxacyclotétradécino[4,3-d][1,3]oxazol-10-yle [French] [ACD/IUPAC Name]
Cethromycin [USAN] [Wiki]
J0086219X6
(1S,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(E)-3-quinolin-3-ylprop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-2-hydroxy-3a,7,9,11,13,15-hexamethyl-11-{[(2E)-3-(quinolin-3-yl)prop-2-en-1-yl]oxy}-3a
(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-2-hydroxy-3a,7,9,11,13,15-hexamethyl-11-{[(2E)-3-(quinolin-3-yl)prop-2-en-1-yl]oxy}-4H
More...

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

8250 [DBID]
A-195773 [DBID]
Abbott-195773 [DBID]
ABT-773 [DBID]
773 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 927.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.5±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 206.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 11.33
ACD/KOC (pH 5.5): 39.42
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 611.52
ACD/KOC (pH 7.4): 2128.33
Polar Surface Area: 163 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 622.9±5.0 cm3

Click to predict properties on the Chemicalize site


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