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24757-70-8 | Adenosine, 2'-deoxy-2-methoxy- (8CI,9CI)
CAS No: 24757-70-8 Catalog No: AG002PCB MDL No:
Product Description
Catalog Number:
AG002PCB
Chemical Name:
Adenosine, 2'-deoxy-2-methoxy- (8CI,9CI)
CAS Number:
24757-70-8
Molecular Formula:
C11H15N5O4
Molecular Weight:
281.2679
IUPAC Name:
(2R,3S,5R)-5-(6-amino-2-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C11H15N5O4/c1-19-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
InChI Key:
HGRICISHTIAZJG-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(OC)nc2N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
281.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.272g/mol
Monoisotopic Mass:
281.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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