ChemSpider 2D Image | 1,1'-{[(2R,3R)-2,3-Dihydroxy-1,4-dioxo-1,4-butanediyl]bis(oxy)}bis(2,5-dioxo-3-pyrrolidinesulfonic acid) | C12H12N2O16S2

1,1'-{[(2R,3R)-2,3-Dihydroxy-1,4-dioxo-1,4-butanediyl]bis(oxy)}bis(2,5-dioxo-3-pyrrolidinesulfonic acid)

  • Molecular FormulaC12H12N2O16S2
  • Average mass504.358 Da
  • Monoisotopic mass503.962830 Da
  • ChemSpider ID107433270

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,1'-{[(2R,3R)-2,3-Dihydroxy-1,4-dioxo-1,4-butandiyl]bis(oxy)}bis(2,5-dioxo-3-pyrrolidinsulfonsäure) [German] [ACD/IUPAC Name]
1,1'-{[(2R,3R)-2,3-Dihydroxy-1,4-dioxo-1,4-butanediyl]bis(oxy)}bis(2,5-dioxo-3-pyrrolidinesulfonic acid) [ACD/IUPAC Name]
3-Pyrrolidinesulfonic acid, 1,1'-[[(2R,3R)-2,3-dihydroxy-1,4-dioxo-1,4-butanediyl]bis(oxy)]bis[2,5-dioxo- [ACD/Index Name]
Acide 1,1'-{[(2R,3R)-2,3-dihydroxy-1,4-dioxo-1,4-butanediyl]bis(oxy)}bis(2,5-dioxo-3-pyrrolidinesulfonique) [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -7.41
ACD/LogD (pH 5.5): -12.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 151.8±5.0 dyne/cm
Molar Volume: 226.6±5.0 cm3

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