ChemSpider 2D Image | (4S)-9'-(2-Aminoethyl)-5'-hydroxy-1,3,3',3'-tetramethyl-2,5,8',12'-tetraoxo-1',2',3',8',11',12'-hexahydrospiro[imidazolidine-4,7'-pyrrolo[3',2':5,6]chromeno[3,4-f]indol[3]ium] | C25H26N5O6

(4S)-9'-(2-Aminoethyl)-5'-hydroxy-1,3,3',3'-tetramethyl-2,5,8',12'-tetraoxo-1',2',3',8',11',12'-hexahydrospiro[imidazolidine-4,7'-pyrrolo[3',2':5,6]chromeno[3,4-f]indol[3]ium]

  • Molecular FormulaC25H26N5O6
  • Average mass492.503 Da
  • Monoisotopic mass492.187775 Da
  • ChemSpider ID23106621

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-9'-(2-Aminoethyl)-5'-hydroxy-1,3,3',3'-tetramethyl-2,5,8',12'-tetraoxo-1',2',3',8',11',12'-hexahydrospiro[imidazolidine-4,7'-pyrrolo[3',2':5,6]chromeno[3,4-f]indol[3]ium] [ACD/IUPAC Name]
Spiro[imidazolidine-4,7'-[7H]pyrano[3,2-e:5,4-f']diindolium], 9'-(2-aminoethyl)-1',2',3',8',11',12'-hexahydro-5'-hydroxy-1,3,3',3'-tetramethyl-2,5,8',12'-tetraoxo-, (4S)- [ACD/Index Name]
Exiguamine A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468547/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.67
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability:
Surface Tension:
Molar Volume:

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