Found 7 results

Search term: MRAUUQSGJNBZQT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S,3'S)-1,1'-(1,4-Phenylene)bis{N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-3-pyrrolidinaminium} | C34H40N4O8

(3S,3'S)-1,1'-(1,4-Phenylene)bis{N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-3-pyrrolidinaminium}

  • Molecular FormulaC34H40N4O8
  • Average mass632.702 Da
  • Monoisotopic mass632.283508 Da
  • ChemSpider ID7803297

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3'S)-1,1'-(1,4-Phenylen)bis{N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-3-pyrrolidinaminium} [German] [ACD/IUPAC Name]
(3S,3'S)-1,1'-(1,4-Phenylene)bis{N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-3-pyrrolidinaminium} [ACD/IUPAC Name]
(3S,3'S)-1,1'-(1,4-Phénylène)bis{N-[2-(3,4-diméthoxyphényl)éthyl]-2,5-dioxo-3-pyrrolidinaminium} [French] [ACD/IUPAC Name]
3-Pyrrolidinaminium, 1,1'-(1,4-phenylene)bis[N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-, (3S,3'S)- [ACD/Index Name]

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

ZINC08412277 [DBID]

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

Density:
Boiling Point: 903.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 500.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 56.94
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 80.95
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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