Cas no 100849-67-0 (Guanosine5'-(pentahydrogen tetraphosphate), P'''®3'-ester with adenosine (9CI))

Guanosine5'-(pentahydrogen tetraphosphate), P'''®3'-ester with adenosine (9CI) structure
100849-67-0 structure
Product Name:Guanosine5'-(pentahydrogen tetraphosphate), P'''®3'-ester with adenosine (9CI)
CAS No:100849-67-0
MF:C20H28N10O20P4
MW:852.386366844177
CID:124258
PubChem ID:165343961
Update Time:2025-04-18

Guanosine5'-(pentahydrogen tetraphosphate), P'''®3'-ester with adenosine (9CI) Chemical and Physical Properties

Names and Identifiers

    • Guanosine tetraphosphate adenosine
    • [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydr
    • 3'-ester with adenosine (9CI)
    • Guanosine5'-(pentahydrogen tetraphosphate), P'''&reg
    • DTXSID601148514
    • Guanosine 5'-(pentahydrogen tetraphosphate), P'''-->3'-ester with adenosine
    • 100849-67-0
    • Guanosine5'-(pentahydrogen tetraphosphate), P'''®3'-ester with adenosine (9CI)
    • Inchi： 1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)45-19)47-52(38,39)49-54(42,43)50-53(40,41)48-51(36,37)44-2-7-10(32)11(33)18(46-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
    • InChI Key： AWFZUUWEKJJTEV-INFSMZHSSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Exact Mass: 852.04344
  • Monoisotopic Mass: 852.04318131g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 14
  • Complexity: 1650
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -9.1
  • Topological Polar Surface Area: 450?2

Experimental Properties

  • PSA: 449.65

Guanosine5'-(pentahydrogen tetraphosphate), P'''®3'-ester with adenosine (9CI) Related Literature

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