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147218-60-8 | Adenosine, N-(6-aminohexyl)-2'-deoxy- (9CI)
CAS No: 147218-60-8 Catalog No: AG001EPC MDL No:
Product Description
Catalog Number:
AG001EPC
Chemical Name:
Adenosine, N-(6-aminohexyl)-2'-deoxy- (9CI)
CAS Number:
147218-60-8
Molecular Formula:
C16H26N6O3
Molecular Weight:
350.4160
IUPAC Name:
(2R,3S,5R)-5-[6-(6-aminohexylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C16H26N6O3/c17-5-3-1-2-4-6-18-15-14-16(20-9-19-15)22(10-21-14)13-7-11(24)12(8-23)25-13/h9-13,23-24H,1-8,17H2,(H,18,19,20)/t11-,12+,13+/m0/s1
InChI Key:
NBGAGWFLDCAWGN-YNEHKIRRSA-N
SMILES:
NCCCCCCNc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)CO)O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
350.207g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.423g/mol
Monoisotopic Mass:
350.207g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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