ChemSpider 2D Image | 4-Methoxyphenyl 3,4-O-isopropylidene-beta-D-galactopyranoside | C16H22O7

4-Methoxyphenyl 3,4-O-isopropylidene-β-D-galactopyranoside

  • Molecular FormulaC16H22O7
  • Average mass326.342 Da
  • Monoisotopic mass326.136566 Da
  • ChemSpider ID24589186

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4R,6S,7R,7aR)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-ol
159922-67-5 [RN]
3,4-O-Isopropylidène-β-D-galactopyranoside de 4-méthoxyphényle [French] [ACD/IUPAC Name]
4-Methoxyphenyl 3,4-O-isopropylidene-β-D-galactopyranoside [ACD/IUPAC Name]
4-Methoxyphenyl-3,4-O-isopropyliden-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, 4-methoxyphenyl 3,4-O-(1-methylethylidene)- [ACD/Index Name]
(3aS,4R,6S,7R,7aR)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
(3aS,4R,6S,7R,7aR)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
(3aS,4R,6S,7R,7aR)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyl-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
[159922-67-5] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 513.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±3.0 kJ/mol
    Flash Point: 264.4±30.1 °C
    Index of Refraction: 1.530
    Molar Refractivity: 80.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 21.16
    ACD/KOC (pH 5.5): 309.36
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.16
    ACD/KOC (pH 7.4): 309.36
    Polar Surface Area: 87 Å2
    Polarizability: 32.0±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 261.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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