ChemSpider 2D Image | 2,2-Dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)-2-propanyl]acetamide | C11H12Cl2N2O5

2,2-Dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)-2-propanyl]acetamide

  • Molecular FormulaC11H12Cl2N2O5
  • Average mass323.129 Da
  • Monoisotopic mass322.012329 Da
  • ChemSpider ID29789715
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2,2-Dichlor-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)-2-propanyl]acetamid [German] [ACD/IUPAC Name]
2,2-Dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)-2-propanyl]acetamide [ACD/IUPAC Name]
2,2-Dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophényl)-2-propanyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2,2-dichloro-N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)ethyl]- [ACD/Index Name]
138125-71-0 [RN]
19794-97-9 [RN]
2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)propan-2-yl]acetamide
D-erythro-Dihydro-D-sphingosine-1-phosphate
DL-erythro-2-amino-1,3-octadecanediol 1-(dihydrogen phosphate)
DL-erythro-sphinganine-1-phosphate
More...

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

19794-97-9,28508-07-8 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 619.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 328.2±31.5 °C
    Index of Refraction: 1.612
    Molar Refractivity: 72.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 3.30
    ACD/KOC (pH 5.5): 81.88
    ACD/LogD (pH 7.4): 0.99
    ACD/BCF (pH 7.4): 3.30
    ACD/KOC (pH 7.4): 81.84
    Polar Surface Area: 115 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 66.1±3.0 dyne/cm
    Molar Volume: 208.8±3.0 cm3

    Click to predict properties on the Chemicalize site






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