ChemSpider 2D Image | (1R,2R,5R)-3-[7-{[(1S)-2-(2,3-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol | C23H28F2N6O4S

(1R,2R,5R)-3-[7-{[(1S)-2-(2,3-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

  • Molecular FormulaC23H28F2N6O4S
  • Average mass522.568 Da
  • Monoisotopic mass522.186096 Da
  • ChemSpider ID58793354

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2R,5R)-3-[7-{[(1S)-2-(2,3-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2R,5R)-3-[7-{[(1S)-2-(2,3-Difluorophényl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyéthoxy)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
(1R,2R,5R)-3-[7-{[(1S)-2-(2,3-Difluorphenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-[7-[[(1S)-2-(2,3-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1R,2R,5R)- [ACD/Index Name]
(1R,2R,5R)-3-(7-(((1S)-2-(2,3-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
(1s,2s,3r,5s)-3-[7-[(1r,2s)-2-(3,4-difluorophenyl)cyclopropylamino]-5-(propylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
274693-27-5 [RN]
MFCD30179606
Ticagrelor [Wiki]
ticagrelor; 替卡格雷; azd6140 [Chinese]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 764.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.8±3.0 kJ/mol
    Flash Point: 415.9±35.7 °C
    Index of Refraction: 1.744
    Molar Refractivity: 126.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 20.38
    ACD/KOC (pH 5.5): 300.81
    ACD/LogD (pH 7.4): 2.03
    ACD/BCF (pH 7.4): 20.46
    ACD/KOC (pH 7.4): 301.97
    Polar Surface Area: 164 Å2
    Polarizability: 50.1±0.5 10-24cm3
    Surface Tension: 63.3±7.0 dyne/cm
    Molar Volume: 311.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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