Cas no 27380-19-4 (Polyriboinosinic-polydeoxycytidylic acid)

Polyriboinosinic-polydeoxycytidylic acid structure
27380-19-4 structure
Product Name:Polyriboinosinic-polydeoxycytidylic acid
CAS No:27380-19-4
MF:C19H27N7O15P2
MW:655.403105974197
CID:259053
PubChem ID:135618520
Update Time:2025-04-19

Polyriboinosinic-polydeoxycytidylic acid Chemical and Physical Properties

Names and Identifiers

    • Polyriboinosinic-polydeoxycytidylic acid
    • [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
    • 27380-19-4
    • DTXSID80950074
    • 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol--9-(5-O-phosphonopentofuranosyl)-9H-purin-6-ol (1/1)
    • Inchi: 1S/C10H13N4O8P.C9H14N3O7P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t4-,6-,7-,10-;5-,6+,8+/m10/s1
    • InChI Key: VHHVXQBTLZZWHD-HTUCEEOCSA-N
    • SMILES: P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O.P(=O)(O)(O)OC[C@@H]1[C@H](C[C@H](N2C(N=C(C=C2)N)=O)O1)O

Computed Properties

  • Exact Mass: 655.10421
  • Monoisotopic Mass: 655.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 1060
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 331?2

Experimental Properties

  • Boiling Point: 851.4°Cat760mmHg
  • Flash Point: 468.7°C
  • PSA: 335.19
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