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84498-18-0 | [(2R,3R)-5-[(6-aminopurin-9-yl)methyl]-3-hydroxy-2,3-dihydrofuran-2-yl]oxyphosphonic acid
CAS No: 84498-18-0 Catalog No: AG004VQO MDL No:
Product Description
Catalog Number:
AG004VQO
Chemical Name:
[(2R,3R)-5-[(6-aminopurin-9-yl)methyl]-3-hydroxy-2,3-dihydrofuran-2-yl]oxyphosphonic acid
CAS Number:
84498-18-0
Molecular Formula:
C10H12N5O6P
Molecular Weight:
329.2059
IUPAC Name:
[(2R,3R)-5-[(6-aminopurin-9-yl)methyl]-3-hydroxy-2,3-dihydrofuran-2-yl] dihydrogen phosphate
InChI:
InChI=1S/C10H12N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)2-5-1-6(16)10(20-5)21-22(17,18)19/h1,3-4,6,10,16H,2H2,(H2,11,12,13)(H2,17,18,19)/t6-,10-/m1/s1
InChI Key:
PRTRQSAZALCBPW-LHLIQPBNSA-N
SMILES:
O[C@@H]1C=C(O[C@@H]1OP(=O)(O)O)Cn1cnc2c1ncnc2N
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
329.053g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
329.209g/mol
Monoisotopic Mass:
329.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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