ChemSpider 2D Image | Cethromycin | C42H59N3O10

Cethromycin

  • Molecular FormulaC42H59N3O10
  • Average mass765.932 Da
  • Monoisotopic mass765.420044 Da
  • ChemSpider ID23258189
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(3aS,4R,7R,9R,10R,11S,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,11S,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]
(3aS,4R,7R,9R,10R,11S,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-(quinolin-3-yl)prop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside
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,11S,13R,15R,15aR)- [ACD/Index Name]
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,11S,13R,15R,15aR)-
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3aS,4R,7R,9R,10R,11S,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]
(3aS,4R,7R,9R,10R,11S,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-3a,7,9,11,13,15-hexamethyl-11-{[(2E)-3-(quinolin-3-yl)prop-2-en-1-yl]oxy}-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone
(3aS,4R,7R,9R,10R,11S,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-3a,7,9,11,13,15-hexamethyl-11-{[(2E)-3-(quinolin-3-yl)prop-2-en-1-yl]oxy}-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone6-O-arylpropargyl diazalide
205110-48-1 [RN]

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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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