Cas no 102029-47-0 (Lithium N-(6-aminohexyl)-5'-O-(hydroxyphosphinato)adenosine 3'-(dihydrogen phosphate))

Lithium N-(6-aminohexyl)-5'-O-(hydroxyphosphinato)adenosine 3'-(dihydrogen phosphate) structure
102029-47-0 structure
Product Name:Lithium N-(6-aminohexyl)-5'-O-(hydroxyphosphinato)adenosine 3'-(dihydrogen phosphate)
CAS No:102029-47-0
MF:C16H27LiN6O10P2
MW:532.308305025101
CID:124839
PubChem ID:71308513
Update Time:2025-04-18

Lithium N-(6-aminohexyl)-5'-O-(hydroxyphosphinato)adenosine 3'-(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • 3'-Adenylic acid,N-(6-aminohexyl)-, 5'-(dihydrogen phosphate), tetralithium salt (9CI)
    • lithium,[(2R,3S,4R,5R)-5-[6-(6-aminohexylamino)purin-9-yl]-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
    • N6-(6-AMINOHEXYL)-ADENOSINE 2',5'-DIPHOS PHATE LITH
    • N6-(6-AMINOHEXYL)ADENOSINE 3',5'-DIPHOSP HATE LITHI
    • N(sup 6)(6-aminohexyl)adenosine 2',5'-diphosphate, lithium
    • N6-(6-Aminohexyl)adenosine 3μ,5μ-diphosphate lithium salt
    • Lithium N-(6-aminohexyl)-5'-O-(hydroxyphosphinato)adenosine 3'-(dihydrogen phosphate)
    • DTXSID00745540
    • 102029-47-0
    • Inchi: 1S/C16H28N6O10P2.Li/c17-5-3-1-2-4-6-18-14-11-15(20-8-19-14)22(9-21-11)16-12(23)13(32-34(27,28)29)10(31-16)7-30-33(24,25)26;/h8-10,12-13,16,23H,1-7,17H2,(H,18,19,20)(H2,24,25,26)(H2,27,28,29);/q;+1/p-1/t10-,12-,13-,16-;/m1./s1
    • InChI Key: IFPMERQTLAQAJP-KHXPSBENSA-M
    • SMILES: P(=O)(O)(O)O[C@@H]1[C@@H](COP(=O)(O)[O-])O[C@H]([C@@H]1O)N1C=NC2C(=NC=NC1=2)NCCCCCCN.[Li+]

Computed Properties

  • Exact Mass: 532.142394g/mol
  • Monoisotopic Mass: 532.142394g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 13
  • Complexity: 756
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 532.3g/mol
  • Topological Polar Surface Area: 248?2

Lithium N-(6-aminohexyl)-5'-O-(hydroxyphosphinato)adenosine 3'-(dihydrogen phosphate) Security Information

  • WGK Germany:1
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38
  • Safety Term:Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36WGK Germany 1
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