Cas no 104809-20-3 (Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI))

Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI) structure
104809-20-3 structure
Product Name:Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI)
CAS No:104809-20-3
MF:C11H17LiN5O12P3
MW:511.141264677048
CID:126449
PubChem ID:24277720
Update Time:2024-11-03

Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI)
    • Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (...
    • ALPHA,BETA-METHYLENEADENOSINE 5'-TRIPHOSPHATE LITHIUM SALT
    • α,β-Methyleneadenosine 5′-triphosphate lithium salt
    • lithium,[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl] hydrogen phosphate
    • AMP-CPP
    • AMP-CPP LITHIUM SALT
    • A,B-methyleneadenosine 5'-triphosphate*lithium
    • α,β-methyleneadenosine 5'-triphosphate lithium salt
    • alpha,beta-Methyleneadenosine 5'-triphosphate lithium salt, >=93% (HPLC), solid
    • DTXSID10635741
    • 104809-20-3
    • lithium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl] hydrogen phosphate
    • alpha , beta -Methyleneadenosine 5'-triphosphate lithium salt
    • DB-255095
    • MDL: MFCD00148925
    • Inchi: 1S/C11H18N5O12P3.Li/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25;/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25);/q;+1/p-1/t5-,7-,8-,11-;/m1./s1
    • InChI Key: NVHVREPTGDOYIC-YCSZXMBFSA-M
    • SMILES: P(CP(=O)(O)OP(=O)(O)[O-])(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.[Li+]

Computed Properties

  • Exact Mass: 511.02500
  • Monoisotopic Mass: 511.02466042g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 8
  • Complexity: 813
  • 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
  • Topological Polar Surface Area: 273?2

Experimental Properties

  • Solubility: H2O: 100?mg/mL
  • PSA: 302.16000
  • LogP: -0.49870

Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI) Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S22; S26; S36
  • Hazardous Material Identification: Xi
  • Storage Condition:?20°C
  • Risk Phrases:R36/37/38

Adenosine, 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate], dilithium salt (9CI) Pricemore >>

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