ChemSpider 2D Image | Lumicitabine | C18H25ClFN3O6

Lumicitabine

  • Molecular FormulaC18H25ClFN3O6
  • Average mass433.859 Da
  • Monoisotopic mass433.141602 Da
  • ChemSpider ID58171803

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Lumicitabine [INN] [USAN]
1445385-02-3 [RN]
2(1H)-Pyrimidinone, 4-amino-1-[5-chloro-2,5-dideoxy-2-fluoro-4-C-[(2-methyl-1-oxopropoxy)methyl]-3-O-(2-methyl-1-oxopropyl)-α-L-lyxofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-chlor-2,5-didesoxy-2-fluor-3-O-isobutyryl-4-[(isobutyryloxy)methyl]-α-L-lyxofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-chloro-2,5-dideoxy-2-fluoro-3-O-isobutyryl-4-[(isobutyryloxy)methyl]-α-L-lyxofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-chloro-2,5-didésoxy-2-fluoro-3-O-isobutyryl-4-[(isobutyryloxy)méthyl]-α-L-lyxofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4'-C-(chloromethyl)-2'-deoxy-2'-fluorocytidine 3',5'-bis(2-methylpropanoate)
ALS-8176
BNW5PQ52G1
lumicitabina [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10331 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 533.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.9±3.0 kJ/mol
    Flash Point: 276.4±32.9 °C
    Index of Refraction: 1.577
    Molar Refractivity: 100.3±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.75
    ACD/KOC (pH 5.5): 134.34
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 7.13
    ACD/KOC (pH 7.4): 141.94
    Polar Surface Area: 121 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 46.1±7.0 dyne/cm
    Molar Volume: 302.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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