ChemSpider 2D Image | (2R,2'R)-3,3'-(1,2-Dioxido-1lambda~4~,2lambda~4~-disulfane-1,2-diyl)bis(2-aminopropanoic acid) (non-preferred name) | C6H12N2O6S2

(2R,2'R)-3,3'-(1,2-Dioxido-1λ4,2λ4-disulfane-1,2-diyl)bis(2-aminopropanoic acid) (non-preferred name)

  • Molecular FormulaC6H12N2O6S2
  • Average mass272.299 Da
  • Monoisotopic mass272.013672 Da
  • ChemSpider ID75223474

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,2'R)-3,3'-(1,2-Dioxido-1λ4,2λ4-disulfan-1,2-diyl)bis(2-aminopropansäure) (non-preferred name) [German] [ACD/IUPAC Name]
(2R,2'R)-3,3'-(1,2-Dioxido-1λ4,2λ4-disulfane-1,2-diyl)bis(2-aminopropanoic acid) (non-preferred name) [ACD/IUPAC Name]
Acide (2R,2'R)-3,3'-(1,2-dioxydo-1λ4,2λ4-disulfane-1,2-diyl)bis(2-aminopropanoïque) (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 656.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.04
ACD/LogD (pH 5.5): -5.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 156.5±3.0 dyne/cm
Molar Volume: 143.9±3.0 cm3

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