Cas no 25853-45-6 (2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1))

2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1) structure
25853-45-6 structure
Product Name:2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1)
CAS No:25853-45-6
MF:C19H27N7O14P2
MW:639.403705835342
CID:257053
PubChem ID:135618616
Update Time:2025-04-19

2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1) Chemical and Physical Properties

Names and Identifiers

    • 2&prime
    • -DEOXY-5&prime
    • -INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH -DEOXY-5&prime
    • -CYTIDYLIC ACID HOMOPOLYMER (1:1)
    • -INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2&prime
    • 25853-45-6
    • [(2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
    • DTXSID70180505
    • 2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1)
    • Inchi: 1S/C10H13N4O7P.C9H14N3O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16;10-7-1-2-12(9(14)11-7)8-6(13)3-5(19-8)4-18-20(15,16)17/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19);1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,7+;5-,6+,8+/m00/s1
    • InChI Key: BVDOFOVLSRVUDR-UJWAFZRWSA-N
    • SMILES: P(=O)(O)(O)OC[C@@H]1[C@H](C[C@H](N2C=NC3C(NC=NC2=3)=O)O1)O.P(=O)(O)(O)OC[C@@H]1C[C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O

Computed Properties

  • Exact Mass: 639.10931
  • Monoisotopic Mass: 639.109
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 8
  • Complexity: 1030
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 310?2

Experimental Properties

  • Boiling Point: 804.6°C at 760 mmHg
  • Flash Point: 440.4°C
  • PSA: 314.96
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