Polydeoxyadenylic acid-polythymidylic acid sodium salt

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Catalog Number
ACM86834222
Product Name
Polydeoxyadenylic acid-polythymidylic acid sodium salt
CAS
86834-22-2
Category
Heterocyclic Organic Compound
IUPAC Name
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Molecular Weight
653.4g/mol
Molecular Formula
C20H29N7O14P2
Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O.C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O
InChI
InChI=1S/C10H14N5O6P.C10H15N2O8P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19;1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+;6-,7+,8+/m00/s1
InChI Key
KKVQVIFXABFJCS-QEYXXENCSA-N
Complexity
981
Covalently-Bonded Unit Count
2
Exact Mass
653.124773g/mol
Formal Charge
0
H-Bond Acceptor
18
H-Bond Donor
8
Heavy Atom Count
43
Monoisotopic Mass
653.124773g/mol
Rotatable Bond Count
8
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