ChemSpider 2D Image | rolitetracycline | C27H33N3O8

rolitetracycline

  • Molecular FormulaC27H33N3O8
  • Average mass527.566 Da
  • Monoisotopic mass527.226746 Da
  • ChemSpider ID21111754

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-4-(Diméthylamino)-3,6,10,12,12a-pentahydroxy-6-méthyl-1,11-dioxo-N-(1-pyrrolidinylméthyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, (4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
751-97-3 [RN]
GH9IW85221
MFCD00056562
N-(1-Pyrrolidinylmethyl)-tetracycline
N-(Pyrrolidinomethyl)tetracycline
Pyrrolidino-methyl-tetracycline
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1041 [DBID]
R2253_SIGMA [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 824.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.6±3.0 kJ/mol
    Flash Point: 452.4±34.3 °C
    Index of Refraction: 1.713
    Molar Refractivity: 134.1±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: -0.13
    ACD/LogD (pH 5.5): -3.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 171 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 89.3±5.0 dyne/cm
    Molar Volume: 342.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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