Cas no 56983-23-4 (Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine)

Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine structure
56983-23-4 structure
Product Name:Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine
CAS No:56983-23-4
MF:C20H30N10O25P6
MW:996.346768856049
CID:376376
PubChem ID:123694
Update Time:2025-04-19

Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine Chemical and Physical Properties

Names and Identifiers

    • [[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(
    • Diadenosine hexaphosphate
    • 5'-ester with adenosine
    • Adenosine5'-(heptahydrogen hexaphosphate), P'''''&reg
    • 6 Diadenosine hexaphosphate
    • AppppppA
    • Ap A
    • Adenosine-(5')-hexaphospho-(5')-adenosine
    • Adenosine 5'-hexaphosphate, 5'-ester with adenosine (7CI)
    • Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine
    • P1,P6-Bis(5'-adenosyl)hexaphosphate
    • AppppppA
    • C20-H30-N10-O25-P6
    • Adenosine 5'-(heptahydrogen hexaphosphate) P->5'-ester with adenosine
    • adenosine(5')hexaphospho(5')adenosine
    • Q27132725
    • Adenosine 5'-(heptahydrogen hexaphosphate)5'-5'-ester with adenosine
    • Adenosine 5'-(heptahydrogen hexaphosphate), 5'-5'-ester with adenosine
    • P(1),P(6)-bis(5'-adenosyl)hexaphosphate
    • Adenosine 5'-hexaphosphate 5'-ester with adenosine
    • [[(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
    • Ap(6)A
    • P1,P6-di(Adenosine-5')hexaphosphate
    • Adenosine-(5')-hexaphospho-(5')-adenosine
    • C20H30N10O25P6
    • 56983-23-4
    • CHEBI:63689
    • Ap6A
    • C20190
    • P1,P6-Di(Adenosine-5') Hexaphosphate
    • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
    • LS-15142
    • diadenosine 5',5''''-P1,P6-hexaphosphate
    • Inchi： 1S/C20H30N10O25P6/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)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
    • InChI Key： PZCFFCOJNXGTIM-XPWFQUROSA-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

Computed Properties

  • Exact Mass: 995.981
  • Monoisotopic Mass: 995.981
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 33
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 18
  • Complexity: 1760
  • 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: _10.5
  • Topological Polar Surface Area: 527?2

Experimental Properties

  • Density: 2.75
  • Boiling Point: 1359.4°Cat760mmHg
  • Flash Point: 775.9°C
  • Refractive Index: 1.965
  • PSA: 585.89000
  • LogP: -1.05000

Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine Production Method

Production Method 1

Reaction Conditions
1.1R:4-Ethylmorpholine, R:MgCl2, S:THF, S:H2O
Reference
Magnesium(II) ion-mediated conversion of mono- and oligonucleotides to 5'-polyphosphates in aqueous solution
By Sawai, Hiroaki et al, Tetrahedron Letters, 1993, 34(30), 4801-4

Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine Raw materials

Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine Preparation Products

Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine Related Literature

Related Categories

56983-23-4 (Adenosine 5'-(heptahydrogen hexaphosphate), P'''''→5'-ester with adenosine) Related Products

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