ChemSpider 2D Image | (r)-4-cbz-thiomorpholine-3-carboxylic acid | C13H15NO4S

(r)-4-cbz-thiomorpholine-3-carboxylic acid

  • Molecular FormulaC13H15NO4S
  • Average mass281.328 Da
  • Monoisotopic mass281.072174 Da
  • ChemSpider ID23078423

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-[(Benzyloxy)carbonyl]-3-thiomorpholincarbonsäure [German] [ACD/IUPAC Name]
(3R)-4-[(Benzyloxy)carbonyl]-3-thiomorpholinecarboxylic acid [ACD/IUPAC Name]
(3R)-4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylic acid
(R)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylic acid
(r)-4-cbz-thiomorpholine-3-carboxylic acid
114580-19-7 [RN]
114580-22-2 [RN]
3,4-Thiomorpholinedicarboxylic acid, 4-(phenylmethyl) ester, (3R)- [ACD/Index Name]
Acide (3R)-4-[(benzyloxy)carbonyl]-3-thiomorpholinecarboxylique [French] [ACD/IUPAC Name]
acide (3R)-4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylique [French]
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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: 491.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.8±3.0 kJ/mol
    Flash Point: 250.8±28.7 °C
    Index of Refraction: 1.607
    Molar Refractivity: 71.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.65
    ACD/LogD (pH 7.4): -1.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 60.6±3.0 dyne/cm
    Molar Volume: 207.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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