ChemSpider 2D Image | (5S)-1-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-4,5-O-isopropylidene-D-xylo-pentodialdo-5,2-furanose | C23H25ClO6

(5S)-1-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-4,5-O-isopropylidene-D-xylo-pentodialdo-5,2-furanose

  • Molecular FormulaC23H25ClO6
  • Average mass432.894 Da
  • Monoisotopic mass432.133972 Da
  • ChemSpider ID34500392

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-1-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-4,5-O-isopropylidene-D-xylo-pentodialdo-5,2-furanose [ACD/IUPAC Name]
(5S)-1-[4-Chloro-3-(4-éthoxybenzyl)phényl]-4,5-O-isopropylidène-D-xylo-pentodialdo-5,2-furanose [French] [ACD/IUPAC Name]
(5S)-1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-D-xylo-pentodialdo-5,2-furanose
1103738-30-2 [RN]
D-xylo-Pentodialdo-5,2-furanose, 1-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-, (5S)- [ACD/Index Name]
(3aS,5R,6S,6aS)-5-{4-chloro-3-[(4-ethoxyphenyl)methyl]benzoyl}-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
(3aS,5R,6S,6aS)-5-{4-chloro-3-[(4-ethoxyphenyl)methyl]benzoyl}-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
(4-Chloro-3-(4-ethoxybenzyl)phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-D][1,3]dioxol-5-yl)methanone
(4-Chloro-3-(4-ethoxybenzyl)phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)methanone
(4-chloro-3-(4-ethoxybenzyl)phenyl)((5R,6S)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 601.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.2±3.0 kJ/mol
    Flash Point: 317.7±31.5 °C
    Index of Refraction: 1.572
    Molar Refractivity: 112.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.58
    ACD/LogD (pH 5.5): 4.44
    ACD/BCF (pH 5.5): 1395.66
    ACD/KOC (pH 5.5): 6203.41
    ACD/LogD (pH 7.4): 4.44
    ACD/BCF (pH 7.4): 1395.65
    ACD/KOC (pH 7.4): 6203.38
    Polar Surface Area: 74 Å2
    Polarizability: 44.4±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 340.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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