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75763-51-8 | 2'-AMINO-2'-DEOXYINOSINE
CAS No: 75763-51-8 Catalog No: AG005IEU MDL No:MFCD09750831
Product Description
Catalog Number:
AG005IEU
Chemical Name:
2'-AMINO-2'-DEOXYINOSINE
CAS Number:
75763-51-8
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
MDL Number:
MFCD09750831
IUPAC Name:
9-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H13N5O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1,11H2,(H,12,13,18)/t4-,5-,7-,10-/m1/s1
InChI Key:
PPLSURAOXNSSRH-QYYRPYCUSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n1cnc2c1ncnc2O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
267.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.245g/mol
Monoisotopic Mass:
267.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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