ChemSpider 2D Image | tert-Butyl 6-amino-2,4,6-trideoxy-3,5-O-isopropylidene-D-erythro-hexonate | C13H25NO4

tert-Butyl 6-amino-2,4,6-trideoxy-3,5-O-isopropylidene-D-erythro-hexonate

  • Molecular FormulaC13H25NO4
  • Average mass259.342 Da
  • Monoisotopic mass259.178345 Da
  • ChemSpider ID21432173

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R-cis)-6-Aminomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester
2-Methyl-2-propanyl 6-amino-2,4,6-trideoxy-3,5-O-isopropylidene-D-erythro-hexonate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-amino-2,4,6-tridesoxy-3,5-O-isopropyliden-D-erythro-hexonat [German] [ACD/IUPAC Name]
6-Amino-2,4,6-tridésoxy-3,5-O-isopropylidène-D-érythro-hexonate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
853881-01-3 [RN]
D-erythro-Hexonic acid, 6-amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 6-amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate
tert-Butyl 6-amino-2,4,6-trideoxy-3,5-O-isopropylidene-D-erythro-hexonate
(4R-Cis)-1,1-Dimethylethyl-6-Aminomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate
(4R-CIS)-6-AMINOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4 ACETIC ACID TERT-BUTYL ESTER
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 323.8±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.6±3.0 kJ/mol
    Flash Point: 95.9±17.3 °C
    Index of Refraction: 1.444
    Molar Refractivity: 68.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): -1.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.10
    Polar Surface Area: 71 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 34.9±3.0 dyne/cm
    Molar Volume: 258.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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