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Search term: O=C[C@@H](O)C(O)(CO)CO (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | (2S)-2,3,4-Trihydroxy-3-(hydroxymethyl)butanal | C5H10O5

(2S)-2,3,4-Trihydroxy-3-(hydroxymethyl)butanal

  • Molecular FormulaC5H10O5
  • Average mass150.130 Da
  • Monoisotopic mass150.052826 Da
  • ChemSpider ID29787263
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2,3,4-Trihydroxy-3-(hydroxymethyl)butanal [German] [ACD/IUPAC Name]
(2S)-2,3,4-Trihydroxy-3-(hydroxymethyl)butanal [ACD/IUPAC Name]
(2S)-2,3,4-Trihydroxy-3-(hydroxyméthyl)butanal [French] [ACD/IUPAC Name]
Butanal, 2,3,4-trihydroxy-3-(hydroxymethyl)-, (2S)- [ACD/Index Name]
6477-44-7 [RN]
L-Apiose
MFCD18642996

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 368.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±6.0 kJ/mol
    Flash Point: 191.0±22.4 °C
    Index of Refraction: 1.550
    Molar Refractivity: 31.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.47
    ACD/LogD (pH 5.5): -1.82
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.44
    ACD/LogD (pH 7.4): -1.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.44
    Polar Surface Area: 98 Å2
    Polarizability: 12.5±0.5 10-24cm3
    Surface Tension: 84.2±3.0 dyne/cm
    Molar Volume: 98.8±3.0 cm3

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