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100647-74-3 | Adenosine, 2-(1-decynyl)- (9CI)
CAS No: 100647-74-3 Catalog No: AG0002JX MDL No:
Product Description
Catalog Number:
AG0002JX
Chemical Name:
Adenosine, 2-(1-decynyl)- (9CI)
CAS Number:
100647-74-3
Molecular Formula:
C20H29N5O4
Molecular Weight:
403.4754
IUPAC Name:
2-(6-amino-2-dec-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C20H29N5O4/c1-2-3-4-5-6-7-8-9-10-14-23-18(21)15-19(24-14)25(12-22-15)20-17(28)16(27)13(11-26)29-20/h12-13,16-17,20,26-28H,2-8,11H2,1H3,(H2,21,23,24)
InChI Key:
STEJKDXTRBFPKN-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.222g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
403.483g/mol
Monoisotopic Mass:
403.222g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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