ChemSpider 2D Image | Pentyl ({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate | C26H30N4O6S

Pentyl ({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate

  • Molecular FormulaC26H30N4O6S
  • Average mass526.605 Da
  • Monoisotopic mass526.188599 Da
  • ChemSpider ID2370841

More details:

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

({7-[2-Hydroxy-3-(1-naphtyloxy)propyl]-3-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl}sulfanyl)acétate de pentyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[2,3,6,7-tetrahydro-7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-2,6-dioxo-1H-purin-8-yl]thio]-, pentyl ester [ACD/Index Name]
Pentyl ({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate [ACD/IUPAC Name]
Pentyl-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetat [German] [ACD/IUPAC Name]
303970-56-1 [RN]
pentyl ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
pentyl 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
pentyl 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
pentyl 2-[7-(2-hydroxy-3-naphthyloxypropyl)-3-methyl-2,6-dioxo-1,3,7-trihydrop urin-8-ylthio]acetate

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

BAS 00732935 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.652
    Molar Refractivity: 139.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 5.49
    ACD/LogD (pH 5.5): 4.77
    ACD/BCF (pH 5.5): 2469.53
    ACD/KOC (pH 5.5): 9332.80
    ACD/LogD (pH 7.4): 4.76
    ACD/BCF (pH 7.4): 2442.08
    ACD/KOC (pH 7.4): 9229.06
    Polar Surface Area: 148 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 55.2±7.0 dyne/cm
    Molar Volume: 382.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement