Cas no 104835-70-3 (Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI))

Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI) structure
104835-70-3 structure
Product Name:Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI)
CAS No:104835-70-3
MF:C11H17N5O9P2
MW:425.228303670883
CID:126488
PubChem ID:92199
Update Time:2025-04-18

Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI)
    • ALPHA BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE SODIUM SALT
    • α,β-METHYLENEADENOSINE 5'-DIPHOSPHATE SODIUM SALT
    • A,B-methyleneadenosine 5'-diphosphate*sodium
    • AMP-CP SODIUM SALT
    • α,β-Methyleneadenosine 5′-diphosphate sodium salt,AMP-CP
    • ALPHA,BETA-METHYLENEADENOSINE 5'-DIPHOSPHATE SODIUM SALT
    • CHEMBL583969
    • Adenosine 5'-(
    • ALPHA,BETA-METHYLENEADENOSINE 5'-DIPHOSPHATE
    • MethADP
    • AMP-CP
    • 5'-O-[hydroxy(phosphonomethyl)phosphoryl]adenosine
    • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid
    • ADP, alpha beta-me
    • MethADP (Adenosine 5'-(alpha,beta-methylene)diphosphate)
    • SCHEMBL4314227
    • NSC 614641
    • .ALPHA.,.BETA.-METHYLENE ADENOSINE DIPHOSPHATE
    • ADENOSINE 5'-(.ALPHA.,.BETA.-METHYLENE)DIPHOSPHATE
    • 0T2A5439OE
    • Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate)
    • [alphabetaCH2]ADP
    • Adenosine 5'-(alpha,beta-methylene)diphosphate
    • cid_92199
    • NCGC00163326-01
    • ADENOSINE .ALPHA.,.BETA.-METHYLENEDIPHOSPHATE
    • ADENOSINE, 5'-(HYDROGEN (PHOSPHONOMETHYL)PHOSPHONATE)
    • ((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methylphosphonic acid
    • CHEBI:40730
    • alphabeta-methyleneADP
    • ADENOSINE, 5'-(TRIHYDROGEN METHYLENEDIPHOSPHONATE)
    • alpha,beta-methyleneadenosine 5'-diphosphate (alphabetameADP)
    • EINECS 223-194-0
    • alpha , beta -Methyleneadenosine 5'-diphosphate sodium salt
    • Q27074395
    • AP2
    • AMPCP
    • J-001270
    • MFCD00042991
    • Adenosine 5'-methylenediphosphate
    • alpha,beta-methylene adenosine 5'-diphosphate
    • Adenosine 5'-(,-methylene)diphosphate
    • 3768-14-7
    • CS-0046156
    • 5'-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]adenosine
    • A,
    • ADENOSINE, 5'-(HYDROGEN P-(PHOSPHONOMETHYL)PHOSPHONATE)
    • HY-112502
    • alpha, beta-methyleneadenosine 5 -diphosphate
    • MLS000028681
    • DB03148
    • 5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]adenosine
    • NSC-614641
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
    • Adenosine 5'-(alpha,beta-methylene)diphosphoric acid
    • ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE
    • .ALPHA.,.BETA.-METHYLENE-5'-ADP
    • A-methylene)diphosphate
    • adenosine 5'-(alpha,beta-methylene) diphosphate
    • .ALPHA.,.BETA.-METHYLENE-ADP
    • NS00070892
    • phosphomethylphosphonic acid adenosyl ester
    • Adenosine, 5'-(trihydrogen methylenebis(phosphonate))
    • GTPL5092
    • 5'-ADENYLYL METHYLENEPHOSPHONATE
    • BDBM18136
    • 104835-70-3
    • UNII-0T2A5439OE
    • AKOS030573816
    • SMR000058652
    • ADP[alpha,beta-CH2]
    • .ALPHA.,.BETA.-METHYLENE ADENOSINE 5'-DIPHOSPHATE
    • OLCWZBFDIYXLAA-IOSLPCCCSA-N
    • DA-75449
    • Inchi: 1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
    • InChI Key: OLCWZBFDIYXLAA-IOSLPCCCSA-N
    • SMILES: P(CP(=O)(O)O)(=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: 469.01400
  • Monoisotopic Mass: 447.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 650
  • 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: 226A^2
  • XLogP3: -4.8

Experimental Properties

  • Color/Form: Solid powder
  • PSA: 248.65000
  • LogP: -0.17750

Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI) Security Information

  • Signal Word:Warning
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Storage Condition:?20°C
  • Risk Phrases:R36/37/38

Adenosine, 5'-[hydrogen(phosphonomethyl)phosphonate], disodium salt (9CI) Pricemore >>

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