Cas no 13050-93-6 ()

13050-93-6 structure
structure
Product Name:
CAS No:13050-93-6
MF:C10H15N5O10P2
MW:427.201123476028
CID:2769944
PubChem ID:18664602
Update Time:2025-04-21

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)23-10)24-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    • InChI Key: ADDQWUWHJQLXQE-KQYNXXCUSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)O)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Exact Mass: 427.02941569g/mol
  • Monoisotopic Mass: 427.02941569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 638
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.8
  • Topological Polar Surface Area: 233?2

Production Method

Production Method 1

Reaction Conditions
1.1R:NaOD, C:1801427-51-9, S:D2O, 37°C, pH 7.4
Reference
Intrinsic Apyrase-Like Activity of Cerium-Based Metal-Organic Frameworks (MOFs): Dephosphorylation of Adenosine Tri- and Diphosphate
By Yang, Jian et al, Angewandte Chemie, 2020, 59(51), 22952-22956

Raw materials

Preparation Products

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