ChemSpider 2D Image | (2R,2'R)-3,3'-Disulfanediylbis(2-{[(2S)-2-aminopropanoyl]amino}propanoic acid) | C12H22N4O6S2

(2R,2'R)-3,3'-Disulfanediylbis(2-{[(2S)-2-aminopropanoyl]amino}propanoic acid)

  • Molecular FormulaC12H22N4O6S2
  • Average mass382.456 Da
  • Monoisotopic mass382.098083 Da
  • ChemSpider ID57578129

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R)-3,3'-Disulfandiylbis(2-{[(2S)-2-aminopropanoyl]amino}propansäure) [German] [ACD/IUPAC Name]
(2R,2'R)-3,3'-Disulfanediylbis(2-{[(2S)-2-aminopropanoyl]amino}propanoic acid) [ACD/IUPAC Name]
115888-13-6 [RN]
1730228 [Beilstein]
Acide (2R,2'R)-3,3'-disulfanediylbis(2-{[(2S)-2-aminopropanoyl]amino}propanoïque) [French] [ACD/IUPAC Name]
(2R)-2-[(2S)-2-aminopropanamido]-3-{[(2R)-2-[(2S)-2-aminopropanamido]-2-carboxyethyl]disulfanyl}propanoic acid
L-Alanyl-L-Cystine
L-Cysteine, L-alanyl-, bimol. (2→2')-disulfide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 264.5±3.0 cm3

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