Cas no 102783-34-6 (Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI))

Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI) structure
102783-34-6 structure
Product Name:Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI)
CAS No:102783-34-6
MF:C20H33N11O25P6
MW:1013.37728857994
CID:125246
PubChem ID:92043153
Update Time:2025-04-18

Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • A[5']P6[5']A AMMONIUM SALT
    • Adenosine5'-(heptahydrogen hexaphosphate), P'''''&reg
    • 5'-ester with adenosine, hexaammonium salt (9CI)
    • a(5')p6(5')a
    • DIADENOSINE HEXAPHOSPHATE AMMONIUM SALT
    • A(5μ)P6(5μ)A, Diadenosine hexaphosphate
    • P1,P6-DI(ADENOSINE-5') HEXAPHOSPHATEAMMO NIUM
    • P1,P6-DI(ADENOSINE-5') HEXAPHOSPHATE AMMONIUM SALT
    • a[5]p6[5]a Ammonium salt
    • 102783-34-6
    • A[5/']P6[5/']A AMMONIUM SALT
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;azane
    • Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI)
    • Inchi： 1S/C20H30N10O25P6.H3N/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26);1H3/t7-,8-,11-,12-,13-,14-,19-,20-;/m1./s1
    • InChI Key： BTBTYNDBLNVPCA-AHKIGRPSSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.N

Computed Properties

  • Exact Mass: 1013.00779
  • Monoisotopic Mass: 1013.00747757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 34
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 18
  • Complexity: 1760
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 528?2

Experimental Properties

  • PSA: 562.03

Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI) Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26
  • Hazardous Material Identification： Xi
  • Risk Phrases：36/37/38
  • Safety Term：Hazard Codes XiRisk Statements 36/37/38Safety Statements 26WGK Germany 3

Adenosine5'-(heptahydrogen hexaphosphate), P'''''®5'-ester with adenosine, hexaammonium salt (9CI) Related Literature

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