Cas no 102783-27-7 (Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI))

Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI) structure
102783-27-7 structure
Product Name:Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI)
CAS No:102783-27-7
MF:C18H20N5NaO12P
MW:552.341236114502
CID:125243
PubChem ID:16219197
Update Time:2025-04-18

Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI)
    • 4-[[9-[7-(3-carboxypropanoyloxy)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]amino]-4-oxobutanoic acid,sodium
    • Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin...
    • Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium sa
    • N6,2'-O-DISUCCINYLADENOSINE 3':5'-CYCLIC MONOPHOSPHATE SODIUM SALT
    • disuccinyl-camp
    • N6,2'-O-DISUCCINYLADENOSINE 3':5'-CYCLIC MONOPHOSP
    • N(sup 6),2'-O-disuccinyladenosine 3':5'-cyclic phosphate
    • CID 16219197
    • 102783-27-7
    • N6,2/'-O-DISUCCINYLADENOSINE 3/':5/'-CYCLIC MONOPHOSPHATE SODIUM SALT
    • N6,2'-O-Disuccinyladenosine 3':5'-cyclic monophosphate sodium salt, ~98%
    • DTXSID30585118
    • FT-0755772
    • PUBCHEM_16219197
    • Inchi： 1S/C18H20N5O12P.Na/c24-9(1-2-10(25)26)22-16-13-17(20-6-19-16)23(7-21-13)18-15(34-12(29)4-3-11(27)28)14-8(33-18)5-32-36(30,31)35-14;/h6-8,14-15,18H,1-5H2,(H,25,26)(H,27,28)(H,30,31)(H,19,20,22,24);
    • InChI Key： JZQVPHUIEVDOIX-UHFFFAOYSA-N
    • SMILES： P1(=O)(O)OCC2C(C(C(N3C=NC4C(NC(CCC(=O)O)=O)=NC=NC3=4)O2)OC(CCC(=O)O)=O)O1.[Na]

Computed Properties

  • Exact Mass: 551.066552g/mol
  • Monoisotopic Mass: 551.066552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 10
  • Complexity: 945
  • 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: 551.3g/mol
  • Topological Polar Surface Area: 241?2

Experimental Properties

  • PSA: 251.89000
  • LogP: 0.46890

Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI) Security Information

  • WGK Germany：3
  • Safety Term：WGK Germany 3
  • Storage Condition：?20°C

Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI) Related Literature

102783-27-7 (Butanoic acid,4-[[9-[2-O-(3-carboxy-1-oxopropyl)-3,5-O-phosphinico-b-D-ribofuranosyl]-9H-purin-6-yl]amino]-4-oxo-,disodium salt (9CI)) Related Products

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