ChemSpider 2D Image | (2R)-2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methyl]-4,4-diethoxybutyl acetate | C16H25N5O5

(2R)-2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methyl]-4,4-diethoxybutyl acetate

  • Molecular FormulaC16H25N5O5
  • Average mass367.400 Da
  • Monoisotopic mass367.185577 Da
  • ChemSpider ID44208986

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methyl]-4,4-diethoxybutyl acetate [ACD/IUPAC Name]
(2R)-2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methyl]-4,4-diethoxybutyl-acetat [German] [ACD/IUPAC Name]
9H-Purine-9-propanol, 2-amino-β-(2,2-diethoxyethyl)-6-hydroxy-, α-acetate, (βR)- [ACD/Index Name]
Acétate de (2R)-2-[(2-amino-6-hydroxy-9H-purin-9-yl)méthyl]-4,4-diéthoxybutyle [French] [ACD/IUPAC Name]
(R)-2-((2-amino-6-hydroxy-9H-purin-9-yl)methyl)-4,4-diethoxybutyl acetate
1415566-34-5 [RN]
CS-17003

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 592.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±3.0 kJ/mol
    Flash Point: 312.0±32.9 °C
    Index of Refraction: 1.604
    Molar Refractivity: 91.5±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): -1.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 135 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 266.2±7.0 cm3

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