Cas no 56432-02-1 (Adenosine 3'-(tetrahydrogen triphosphate), P''→5'-ester with adenosine)

Adenosine 3'-(tetrahydrogen triphosphate), P''→5'-ester with adenosine structure
56432-02-1 structure
Product Name:Adenosine 3'-(tetrahydrogen triphosphate), P''→5'-ester with adenosine
CAS No:56432-02-1
MF:C20H27N10O16P3
MW:756.407065629959
CID:370045
PubChem ID:3035419
Update Time:2025-04-19

Adenosine 3'-(tetrahydrogen triphosphate), 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] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl] hydrogen p
    • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
    • Adenosine3'-(tetrahydrogen triphosphate), P''&reg
    • 5'-ester with adenosine
    • ApppA
    • Adenosine 3'-(tetrahydrogen triphosphate), P''→5'-ester with adenosine
    • 56432-02-1
    • P(1),(P3)-Bis(5'-adenosyl)triphosphate
    • DTXSID20204987
    • Adenosine 3'-(tetrahydrogen triphosphate), 3'-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)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl] hydrogen phosphate
    • Inchi： 1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(43-19)2-41-47(35,36)45-49(39,40)46-48(37,38)44-14-7(1-31)42-20(13(14)34)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)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
    • InChI Key： IZPYLEWCCHQWIA-XPWFQUROSA-N
    • SMILES： P(=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)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Exact Mass: 756.082
  • Monoisotopic Mass: 756.082
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 12
  • Complexity: 1240
  • 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: _7.2
  • Topological Polar Surface Area: 387?2

Experimental Properties

  • PSA: 416.87000
  • LogP: -1.40100

Adenosine 3'-(tetrahydrogen triphosphate), P''→5'-ester with adenosine Related Literature

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