ChemSpider 2D Image | (2R,3S,5R)-2,5-Bis(hydroxymethyl)-3,4-pyrrolidinediol | C6H13NO4

(2R,3S,5R)-2,5-Bis(hydroxymethyl)-3,4-pyrrolidinediol

  • Molecular FormulaC6H13NO4
  • Average mass163.172 Da
  • Monoisotopic mass163.084457 Da
  • ChemSpider ID23110090

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3S,5R)-2,5-Bis(hydroxymethyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3S,5R)-2,5-Bis(hydroxymethyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3S,5R)-2,5-Bis(hydroxyméthyl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedimethanol, 3,4-dihydroxy-, (2R,3R,4R,5R)- [ACD/Index Name]
2,5-Pyrrolidinedimethanol, 3,4-dihydroxy-, (2R,3S,5R)- [ACD/Index Name]
(2R,3S,4S)-2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol
(2R,3S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
1276016-86-4 [RN]
2,5-Anhydro-2,5-imino-D-mannitol
2,5-dideoxy-2,5-imino-d-mannitol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 395.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±6.0 kJ/mol
    Flash Point: 221.9±17.1 °C
    Index of Refraction: 1.559
    Molar Refractivity: 37.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 5
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: -2.84
    ACD/LogD (pH 5.5): -5.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 115.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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