Cas no 110707-49-8 (Mepa-ser)

Mepa-ser structure
Mepa-ser structure
Product Name:Mepa-ser
CAS No:110707-49-8
MF:C14H21N6O9P
MW:448.325103521347
CID:178528
PubChem ID:194871
Update Time:2025-04-19

Mepa-ser Chemical and Physical Properties

Names and Identifiers

    • Mepa-ser
    • 2'(3')-O-Seryladenosine 5'-(O-methylphosphate)
    • 5'-O-[hydroxy(methoxy)phosphoryl]-2'-O-D-seryladenosine
    • [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]oxolan-3-yl] (2R)-2-amino-3-hydroxypropanoate
    • 110707-49-8
    • Inchi: 1S/C14H21N6O9P/c1-26-30(24,25)27-3-7-9(22)10(29-14(23)6(15)2-21)13(28-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,2-3,15H2,1H3,(H,24,25)(H2,16,17,18)/t6-,7-,9-,10-,13-/m1/s1
    • InChI Key: SFXOSIICMFBTII-KWGHVAAJSA-N
    • SMILES: P(=O)(O)(OC)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)OC([C@@H](CO)N)=O)O

Computed Properties

  • Exact Mass: 448.11093
  • Monoisotopic Mass: 448.11076327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 9
  • Complexity: 661
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.2
  • Topological Polar Surface Area: 227?2

Experimental Properties

  • PSA: 227.39
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