ChemSpider 2D Image | Eravacycline | C27H31FN4O8

Eravacycline

  • Molecular FormulaC27H31FN4O8
  • Average mass558.555 Da
  • Monoisotopic mass558.212585 Da
  • ChemSpider ID35143270

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,4aS,5aR,12aR)-4-(Dimethylamino)-7-fluor-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1-pyrrolidinylacetyl)amino]-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aR)-4-(Dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1-pyrrolidinylacetyl)amino]-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aR)-4-(Diméthylamino)-7-fluoro-1,10,11,12a-tétrahydroxy-3,12-dioxo-9-{[2-(1-pyrrolidinyl)acétyl]amino}-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidineacetamide, N-[(5aR,6aS,7S,10aR)-9-(aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,8,10a,11-octahydro-1,10,10a,12-tetrahydroxy-8,11-dioxo-2-naphthacenyl]- [ACD/Index Name]
Eravacycline [INN] [USAN] [Wiki]
(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(2-(pyrrolidin-1-yl)acetamido)-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
1207283-85-9 [RN]
Eravacycline(TP434)
TP434

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

Density: 1.6±0.1 g/cm3
Boiling Point: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

Click to predict properties on the Chemicalize site


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