ChemSpider 2D Image | AR-C133913XX | C14H22N6O4S

AR-C133913XX

  • Molecular FormulaC14H22N6O4S
  • Average mass370.427 Da
  • Monoisotopic mass370.142334 Da
  • ChemSpider ID44209078

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3R,5S)-3-[7-amino-5-(propylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
(1S,2S,3R,5S)-3-[7-Amino-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1S,2S,3R,5S)-3-[7-Amino-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1S,2S,3R,5S)-3-[7-Amino-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyéthoxy)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
(1S,2S,3R,5S)-3-[7-amino-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
1,2-Cyclopentanediol, 3-[7-amino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)- [ACD/Index Name]
1251765-07-7 [RN]
AR-C133913XX
(1s,2s,3r,5s)-3-(7-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-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LNY396KYTZ [DBID]
UNII:LNY396KYTZ [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 711.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.2±3.0 kJ/mol
    Flash Point: 384.1±35.7 °C
    Index of Refraction: 1.787
    Molar Refractivity: 89.1±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: -0.73
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.01
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.06
    Polar Surface Area: 178 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 79.2±7.0 dyne/cm
    Molar Volume: 210.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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