Cas no 13435-44-4 (Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate)

Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate structure
13435-44-4 structure
Product Name:Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CAS No:13435-44-4
MF:C9H12BaN3O8P
MW:458.507638931274
CID:2656899
Update Time:2024-02-29

Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Chemical and Physical Properties

Names and Identifiers

    • 5'-Cytidylic acid barium salt
    • Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen
    • Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
    • Inchi: 1S/C9H14N3O8P.Ba/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/q;+2/p-2/t4-,6-,7-,8-;/m1./s1
    • InChI Key: NVHCWDKLBWFQIP-IAIGYFSYSA-L
    • SMILES: [Ba+2].P(=O)([O-])(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(=NC(C=C2)=N)[O-])O1)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 529
  • Topological Polar Surface Area: 182

Barium(2+);[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxidopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Suppliers

NewCan Biotech Limited
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(CAS:13435-44-4)5'-Cytidylic acid barium salt
Order Number:NC23141
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:15
Price ($):Price inquiry
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NewCan Biotech Limited
(CAS:13435-44-4)5'-Cytidylic acid barium salt
NC23141
Purity:97%
Quantity:10g
Price ($):Inquiry
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