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101565-83-7 | Adenosine, N-[2-(1-naphthalenyl)ethyl]- (9CI)
CAS No: 101565-83-7 Catalog No: AG0004U1 MDL No:
Product Description
Catalog Number:
AG0004U1
Chemical Name:
Adenosine, N-[2-(1-naphthalenyl)ethyl]- (9CI)
CAS Number:
101565-83-7
Molecular Formula:
C22H23N5O4
Molecular Weight:
421.4491
IUPAC Name:
2-(hydroxymethyl)-5-[6-(2-naphthalen-1-ylethylamino)purin-9-yl]oxolane-3,4-diol
InChI:
InChI=1S/C22H23N5O4/c28-10-16-18(29)19(30)22(31-16)27-12-26-17-20(24-11-25-21(17)27)23-9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11-12,16,18-19,22,28-30H,8-10H2,(H,23,24,25)
InChI Key:
HXAFMULMJMMWEU-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCCc1cccc2c1cccc2
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.175g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
421.457g/mol
Monoisotopic Mass:
421.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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