ChemSpider 2D Image | 4-Amino-1-[(3xi)-2-deoxy-2,2-difluoro-beta-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone | C9H11F2N3O4

4-Amino-1-[(3ξ)-2-deoxy-2,2-difluoro-β-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H11F2N3O4
  • Average mass263.198 Da
  • Monoisotopic mass263.071747 Da
  • ChemSpider ID21513310

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(3ξ)-2-deoxy-2,2-difluoro-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(3ξ)-2-deoxy-2,2-difluoro-β-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2-désoxy-2,2-difluoro-β-D-glycéro-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2-desoxy-2,2-difluor-β-D-glycero-pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
[95058-81-4] [RN]
1241938-92-0 [RN]
2',2'-Difluoro-2'-deoxycytidine
2'-Deoxy-2',2'-difluoro-D-cytidine
4-Amino-1-(deoxy-2,2-difluoro-D-threo-pentofuranosyl)-2(1H)-pyrimidinone
4-amino-1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 482.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 86.2±6.0 kJ/mol
    Flash Point: 245.7±31.5 °C
    Index of Refraction: 1.652
    Molar Refractivity: 52.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.47
    ACD/LogD (pH 5.5): -1.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.15
    ACD/LogD (pH 7.4): -1.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.33
    Polar Surface Area: 108 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 65.4±7.0 dyne/cm
    Molar Volume: 142.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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