ChemSpider 2D Image | Tigecycline-d9 | C29H30D9N5O8

Tigecycline-d9

  • Molecular FormulaC29H30D9N5O8
  • Average mass594.704 Da
  • Monoisotopic mass594.336365 Da
  • ChemSpider ID58785576

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-({N-[2-(2H3)methyl(2H6)-2-propanyl]glycyl}amino)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-({N-[2-(2H3)methyl(2H6)-2-propanyl]glycyl}amino)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(diméthylamino)-3,10,12,12a-tétrahydroxy-9-({N-[2-(2H3)méthyl(2H6)-2-propanyl]glycyl}amino)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[2-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)- [ACD/Index Name]
Tigecycline-d9
4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-(2-((2-(methyl-d3)propan-2-yl-1,1,1,3,3,3-d6)amino)acetamido)-1,11-dioxo-1,4S,4aS,5,5aR,6,11,12aS-octahydrotetracene-2-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 890.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 492.6±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -3.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 402.5±5.0 cm3

Click to predict properties on the Chemicalize site


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