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88010-85-9 | Adenosine, 2'-deoxy-N-(1-methyl-2-pyrrolidinylidene)-
CAS No: 88010-85-9 Catalog No: AG004NW1 MDL No:
Product Description
Catalog Number:
AG004NW1
Chemical Name:
Adenosine, 2'-deoxy-N-(1-methyl-2-pyrrolidinylidene)-
CAS Number:
88010-85-9
Molecular Formula:
C15H20N6O3
Molecular Weight:
332.3577
IUPAC Name:
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-[(1-methylpyrrolidin-2-ylidene)amino]purin-9-yl]oxolan-3-ol
InChI:
InChI=1S/C15H20N6O3/c1-20-4-2-3-11(20)19-14-13-15(17-7-16-14)21(8-18-13)12-5-9(23)10(6-22)24-12/h7-10,12,22-23H,2-6H2,1H3/t9-,10+,12+/m0/s1
InChI Key:
LEVXLHTVDASHMI-HOSYDEDBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N=C1CCCN1C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
332.16g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.364g/mol
Monoisotopic Mass:
332.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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