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101565-57-5 | Adenosine, N-(3-phenylpropyl)-
CAS No: 101565-57-5 Catalog No: AG0004U4 MDL No:
Product Description
Catalog Number:
AG0004U4
Chemical Name:
Adenosine, N-(3-phenylpropyl)-
CAS Number:
101565-57-5
Molecular Formula:
C19H23N5O4
Molecular Weight:
385.4170
IUPAC Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-phenylpropylamino)purin-9-yl]oxolane-3,4-diol
InChI:
InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
InChI Key:
UBRRRMDHTZACMR-NVQRDWNXSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCCCc1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
385.175g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
385.424g/mol
Monoisotopic Mass:
385.175g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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