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101904-42-1 | Adenosine, 8-(hydroxymethyl)- (9CI)
CAS No: 101904-42-1 Catalog No: AG0005WU MDL No:
Product Description
Catalog Number:
AG0005WU
Chemical Name:
Adenosine, 8-(hydroxymethyl)- (9CI)
CAS Number:
101904-42-1
Molecular Formula:
C11H15N5O5
Molecular Weight:
297.2673
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-8-(hydroxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(5(2-18)15-6)11-8(20)7(19)4(1-17)21-11/h3-4,7-8,11,17-20H,1-2H2,(H2,12,13,14)/t4-,7-,8-,11-/m1/s1
InChI Key:
KJSCRGFPJNGRBL-TZQXKBMNSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(CO)nc2c1ncnc2N
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
297.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
297.271g/mol
Monoisotopic Mass:
297.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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