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13146-72-0 | Inosine, 3'-deoxy-
CAS No: 13146-72-0 Catalog No: AG000W8X MDL No:
Product Description
Catalog Number:
AG000W8X
Chemical Name:
Inosine, 3'-deoxy-
CAS Number:
13146-72-0
Molecular Formula:
C10H12N4O4
Molecular Weight:
252.2267
IUPAC Name:
9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H12N4O4/c15-2-5-1-6(16)10(18-5)14-4-13-7-8(14)11-3-12-9(7)17/h3-6,10,15-16H,1-2H2,(H,11,12,17)/t5-,6+,10+/m0/s1
InChI Key:
RPZDLTVHZJHPAW-BAJZRUMYSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2O)O
UNII:
J71U8QAU3Q
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
252.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.23g/mol
Monoisotopic Mass:
252.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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