deoxythymidylyl-3'-5'-deoxyadenylate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 83
Total Number of Articles : 72
PubChem 168952
Molecular Formula

C20H27N7O13P2

SMILES

CC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)O

InChI

InChI=1S/C20H27N7O13P2/c1-9-4-26(20(30)25-19(9)29)14-2-10(28)12(38-14)5-37-42(34,35)40-11-3-15(39-13(11)6-36-41(31,32)33)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28H,2-3,5-6H2,1H3,(H,34,35)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)/t10-,11-,12+,13+,14?,15+/m0/s1

synonyms
  • Thymidylyl-deoxyadenylic acid
  • d(Ptpa)
  • (Tpda)
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Properties
Property Value
MW 635.4 g/mol
HBD 6
HBA 17
Rotatable Bond Count 10
Exact Mass 635.11420794 g/mol
Monoisotopic Mass 635.11420794 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1180
xlogp -4.2
Topological Polar Surface Area 280