N,N'-Bis(3-aminopropyl)-1,4-butanediamine; N1,N5,N10-Tris(4-hydroxy-E-cinnamoyl)
AlkaPlorer ID: AK290681
Synonym: N1,N5,N10-Tris-trans-p-coumaroylspermine
IUPAC Name: (E)-N-[3-[4-[3-aminopropyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(4-hydroxyphenyl)prop-2-enamide
Structure
SMILES: NCCCN(CCCCN(CCCN=C(O)/C=C/C1=CC=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C=C1
InChI: InChI=1S/C37H44N4O6/c38-23-3-27-40(36(46)21-12-30-7-16-33(43)17-8-30)25-1-2-26-41(37(47)22-13-31-9-18-34(44)19-10-31)28-4-24-39-35(45)20-11-29-5-14-32(42)15-6-29/h5-22,42-44H,1-4,23-28,38H2,(H,39,45)/b20-11+,21-12+,22-13+
InChIKey: ZCAPOTKWNMCAIB-YUXOBOFSSA-N
Source
Properties Information
Molecule Weight: 640.7810000000002
TPSA？: 159.92000000000002
MolLogP？: 5.376200000000009
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
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