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P-dThd.P-rAdo

HCID 65361
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Basic information

CAS
27156-07-6
Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey
NILRPCYPZMTYPA-ISMGAEHCSA-N
Molecular formula
C20H29N7O15P2
Average molar mass
669.4 g/mol
Monoisotopic mass
669.11968724

Names & identifiers

Preferred name
P-dThd.P-rAdo
IUPAC
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
English name
poly A-T
Molecular formula
C20H29N7O15P2
Molecular weight
669.429682

Names & synonyms

27156-07-6DTXSID009499051-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one--5'-adenylic acid (1/1)1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one--9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine (1/1)poly A-T

Database identifiers

CAS
27156-07-6
PubChem CID
65361
DTXSID
DTXSID00949905

Properties

Computed structural properties

Topological polar surface area
332 Ų
Hydrogen bond donors
9
Hydrogen bond acceptors
19
Rotatable bonds
8
Heavy atoms
44
Formal charge
0
Complexity
1,010

Physicochemical properties

Melting point
60 °C · 60 °C

Related reactions

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Compound notes

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