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132183-36-9 | Adenosine, 2'-deoxy-N-(1-pyrenylmethyl)-
CAS No: 132183-36-9 Catalog No: AG0010CC MDL No:
Product Description
Catalog Number:
AG0010CC
Chemical Name:
Adenosine, 2'-deoxy-N-(1-pyrenylmethyl)-
CAS Number:
132183-36-9
Molecular Formula:
C27H23N5O3
Molecular Weight:
465.5032
IUPAC Name:
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(pyren-1-ylmethylamino)purin-9-yl]oxolan-3-ol
InChI:
InChI=1S/C27H23N5O3/c33-12-21-20(34)10-22(35-21)32-14-31-25-26(29-13-30-27(25)32)28-11-18-7-6-17-5-4-15-2-1-3-16-8-9-19(18)24(17)23(15)16/h1-9,13-14,20-22,33-34H,10-12H2,(H,28,29,30)/t20-,21+,22+/m0/s1
InChI Key:
RPLXSXBLRHTGKK-BHDDXSALSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2NCc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
465.18g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
465.513g/mol
Monoisotopic Mass:
465.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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