ChemSpider 2D Image | (3R)-6-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxohexanoic acid | C18H25NO6

(3R)-6-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxohexanoic acid

  • Molecular FormulaC18H25NO6
  • Average mass351.394 Da
  • Monoisotopic mass351.168182 Da
  • ChemSpider ID26563201

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-6-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxohexanoic acid [ACD/IUPAC Name]
(3R)-6-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide (3R)-6-(benzyloxy)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanedioic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 6-(phenylmethyl) ester, (3R)- [ACD/Index Name]
1421258-63-0 [RN]
218943-30-7 [RN]
boc-d-β-homoglutamic acid(obzl)
Boc-D-β-homoglutamic acid(OBzl)
MFCD22887406

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 530.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.8±3.0 kJ/mol
    Flash Point: 274.4±28.7 °C
    Index of Refraction: 1.521
    Molar Refractivity: 90.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 6.45
    ACD/KOC (pH 5.5): 56.03
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 298.1±3.0 cm3

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