ChemSpider 2D Image | Eravacycline | C27H31FN4O8

Eravacycline

  • Molecular FormulaC27H31FN4O8
  • Average mass558.555 Da
  • Monoisotopic mass558.212585 Da
  • ChemSpider ID28495485

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Eravacycline [INN] [USAN] [Wiki]
(4S,4aS,5aR,12aS)-4-(Dimethylamino)-7-fluor-3,10,12,12a-tetrahydroxy-1,11-dioxo-9-[(1-pyrrolidinylacetyl)amino]-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4-(Dimethylamino)-7-fluoro-3,10,12,12a-tetrahydroxy-1,11-dioxo-9-[(1-pyrrolidinylacetyl)amino]-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4-(Diméthylamino)-7-fluoro-3,10,12,12a-tétrahydroxy-1,11-dioxo-9-{[2-(1-pyrrolidinyl)acétyl]amino}-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
1207283-85-9 [RN]
1-Pyrrolidineacetamide, N-[(5aR,6aS,7S,10aS)-9-(aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,10,10a,12-octahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-2-naphthacenyl]- [ACD/Index Name]
eravacyclina [Spanish] [INN]
éravacycline [French] [INN]
eravacyclinum [Latin] [INN]
TP-434
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

07896928ZC [DBID]
9702 [DBID]
UNII:07896928ZC [DBID]
UNII-07896928ZC [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 868.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.2±3.0 kJ/mol
    Flash Point: 478.8±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: 0.25
    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): -2.82
    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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