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NSC88262 1-decoxy-3-[2-[(3-decoxy-2-hydroxypropyl)amino]ethylamino]pro

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摘 要:NSC88262 1-decoxy-3-[2-[(3-decoxy-2-hydroxypropyl)amino]ethylamino]propan-2-ol,Canonical SMILES: CCCCCCCCCCOCC(CNCCNCC(COCCCCCCCCCC)O)O,InChI: InChI=1/C28H60N2O4/c1-3-5-7-9-11-13-15-17-21-33-25-27(31)23-29-19-20-30-,24-28(32)26-34-22-18-16-14-12-10-8
[Synonyms]
NSC88262
[Structure]
NSC88262 1-decoxy-3-[2-[(3-decoxy-2-hydroxypropyl)amino]ethylamino]pro

[ Properties Computed from Structure]
Molecular Weight488.787 [g/mol]
Molecular FormulaC28H60N2O4
XLogP5.8
H-Bond Donor4
H-Bond Acceptor6
Rotatable Bond Count29
Exact Mass488.455308
MonoIsotopic Mass488.455308
Topological Polar Surface Area83
Heavy Atom Count34
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-decoxy-3-[2-[(3-decoxy-2-hydroxypropyl)amino]ethylamino]propan-2-ol
Canonical SMILES: CCCCCCCCCCOCC(CNCCNCC(COCCCCCCCCCC)O)O
InChI: InChI=1/C28H60N2O4/c1-3-5-7-9-11-13-15-17-21-33-25-27(31)23-29-19-20-30-
24-28(32)26-34-22-18-16-14-12-10-8-6-4-2/h27-32H,3-26H2,1-2H3

 
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