ChemSpider 2D Image | CYSTINE S,S-DIOXIDE | C6H12N2O6S2

CYSTINE S,S-DIOXIDE

  • Molecular FormulaC6H12N2O6S2
  • Average mass272.299 Da
  • Monoisotopic mass272.013672 Da
  • ChemSpider ID23350737
  • defined stereocentres - 2 of 2 defined stereocentres


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

(2R)-2-Amino-3-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}sulfonyl)propanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-3-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}sulfonyl)propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2R)-2-Amino-3-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}sulfonyl)propansäure [German] [ACD/IUPAC Name]
(2R)-2-Amino-3-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}sulfonyl)propansäure (non-preferred name) [German] [ACD/IUPAC Name]
250-206-1 [EINECS]
Acide (2R)-2-amino-3-({[(2R)-2-amino-2-carboxyéthyl]sulfanyl}sulfonyl)propanoïque [French] [ACD/IUPAC Name]
Acide (2R)-2-amino-3-({[(2R)-2-amino-2-carboxyéthyl]sulfanyl}sulfonyl)propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
CYSTINE S,S-DIOXIDE
L-cystine S,S-dioxide
L-Cystine, S,S-dioxide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9Z64C4L1TD [DBID]
UNII:9Z64C4L1TD [DBID]
UNII-9Z64C4L1TD [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 618.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 100.0±6.0 kJ/mol
    Flash Point: 327.5±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 57.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: -0.28
    ACD/LogD (pH 5.5): -4.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 194 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 96.4±3.0 dyne/cm
    Molar Volume: 159.9±3.0 cm3

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