Cas no 10209-67-3 (Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'®5')- (9CI))

Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'®5')- (9CI) structure
10209-67-3 structure
Product Name:Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'®5')- (9CI)
CAS No:10209-67-3
MF:C20H27N10O16P3
MW:756.407065629959
CID:164397
PubChem ID:3080667
Update Time:2025-04-19

Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'®5')- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
    • [1,2-bis[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    • Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'&reg
    • 1,2-bis[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
    • 5')- (9CI)
    • adenosine diphosphate adenosine monophosphate
    • Adenosine5'-(trihydrogen diphosphate), adenylyl-(5'?3')-
    • Adenosine, 5'-O-pyrophosphoryladenylyl-(3'?5')- (7CI)
    • Adenosine,adenylyl-(5'?3')-,5'-(trihydrogen pyrophosphate) (8CI)
    • ppApA
    • Adenosine 5'-(trihydrogen diphosphate), adenylyl-(5'-3')-
    • [[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]o
    • 10209-67-3
    • Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'®5')- (9CI)
    • Inchi： 1S/C20H27N10O16P3/c21-15-8-17(25-2-23-15)29(4-27-8)19-12(33)10(31)6(42-19)1-7(44-48(38,39)46-49(40,41)45-47(35,36)37)14-11(32)13(34)20(43-14)30-5-28-9-16(22)24-3-26-18(9)30/h2-7,10-14,19-20,31-34H,1H2,(H,38,39)(H,40,41)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/t6-,7?,10-,11+,12-,13-,14-,19-,20-/m1/s1
    • InChI Key： CNUZICGKLOTDRJ-ZYCSGJNZSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC(C[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 756.08221
  • Monoisotopic Mass: 756.081934
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 11
  • Complexity: 1340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 398
  • XLogP3: -7.3

Experimental Properties

  • Density: 2.61
  • Boiling Point: 1243.8°Cat760mmHg
  • Flash Point: 706°C
  • Refractive Index: 2.017
  • PSA: 398.44
  • LogP: -1.66660

Adenosine,5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(3'®5')- (9CI) Related Literature

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