ChemSpider 2D Image | 3-Sulfinovaline | C5H11NO4S

3-Sulfinovaline

  • Molecular FormulaC5H11NO4S
  • Average mass181.210 Da
  • Monoisotopic mass181.040878 Da
  • ChemSpider ID28571729

More details:

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

2-AMINO-3-METHYL-3-SULFINOBUTANOIC ACID, (2S)-
3-Sulfinovalin [German] [ACD/IUPAC Name]
3-Sulfinovaline [ACD/IUPAC Name]
3-Sulfinovaline [French] [ACD/IUPAC Name]
Valine, 3-sulfino- [ACD/Index Name]
(2S)-2-Amino-3-methyl-3-sulfinobutanoic acid
23315-18-6 [RN]
2-amino-3-methyl-3-sulfinobutanoic acid
3-Sulfino-DL-valine
98462-04-5 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2V4U3434AJ [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 429.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±6.0 kJ/mol
    Flash Point: 213.6±31.5 °C
    Index of Refraction: 1.613
    Molar Refractivity: 40.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.04
    ACD/LogD (pH 5.5): -4.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 120 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 92.3±3.0 dyne/cm
    Molar Volume: 116.8±3.0 cm3

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