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Search term: MRDWXQKAAKNXSP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOXO-4,7,10,13,16-PENTAAZA-1,19-DITHIANONADECANE | C18H33N5O8S2

7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOXO-4,7,10,13,16-PENTAAZA-1,19-DITHIANONADECANE

  • Molecular FormulaC18H33N5O8S2
  • Average mass511.613 Da
  • Monoisotopic mass511.177063 Da
  • ChemSpider ID4451545

More details:

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

7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOXO-4,7,10,13,16-PENTAAZA-1,19-DITHIANONADECANE
Glycine, N,N-bis[2-[(carboxymethyl)[2-[(2-mercaptoethyl)amino]-2-oxoethyl]amino]ethyl]- [ACD/Index Name]
N,N-Bis{2-[(carboxymethyl){2-oxo-2-[(2-sulfanylethyl)amino]ethyl}amino]ethyl}glycin [German] [ACD/IUPAC Name]
N,N-Bis{2-[(carboxymethyl){2-oxo-2-[(2-sulfanylethyl)amino]ethyl}amino]ethyl}glycine [ACD/IUPAC Name]
N,N-Bis{2-[(carboxyméthyl){2-oxo-2-[(2-sulfanyléthyl)amino]éthyl}amino]éthyl}glycine [French] [ACD/IUPAC Name]
[bis({2-[(carboxymethyl)({[(2-sulfanylethyl)carbamoyl]methyl})amino]ethyl})amino]acetic acid
2-[bis({2-[(carboxymethyl)({[(2-sulfanylethyl)carbamoyl]methyl})amino]ethyl})amino]acetic acid
YMA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 850.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 468.0±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 371.3±3.0 cm3

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