Cas no 7331-13-7 (N-(5'-Adenylyl)morpholine)

N-(5'-Adenylyl)morpholine structure
N-(5'-Adenylyl)morpholine structure
Product Name:N-(5'-Adenylyl)morpholine
CAS No:7331-13-7
MF:C14H21N6O7P
MW:416.326303243637
CID:542675
Update Time:2023-08-02

N-(5'-Adenylyl)morpholine Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 5'-(hydrogen 4-morpholinylphosphonate)
    • Morpholinophosphonic acid 5'-adenosyl ester
    • N-(5'-adenylyl)morpholine
    • AMP-morpholine
    • AMP morpholidate
    • 5'-adenylylmorpholine
    • adenosine 5-monophosphomorpholidate
    • Adenosine 5'-phosphate morpholinide
    • 5'-O-[hydroxy(morpholin-4-yl)phosphoryl]adenosine
    • Q27225199
    • N-(5'-Adenylyl)morpholine
    • Inchi: 1S/C14H21N6O7P/c15-12-9-13(17-6-16-12)20(7-18-9)14-11(22)10(21)8(27-14)5-26-28(23,24)19-1-3-25-4-2-19/h6-8,10-11,14,21-22H,1-5H2,(H,23,24)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
    • InChI Key: XXDDQPLHHUHJOU-IDTAVKCVSA-N
    • SMILES: P(N1CCOCC1)(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 599
  • XLogP3: -3.2
  • Topological Polar Surface Area: 178
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