Cas no 100634-21-7 (Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI))

Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI) structure
100634-21-7 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI)
CAS No:100634-21-7
MF:C16H24N8O15P2
MW:630.35388469696
CID:173625
PubChem ID:127654
Update Time:2025-04-19

Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI)
    • 8-azidoadenosine diphosphate glucose
    • [(2R,3S,4R,5R)-5-(6-amino-8-azido-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
    • 8-Azido-adpglucose
    • Adenosine 5'-(trihydrogen diphosphate), 8-azido-, mono-alpha-D-glucopyranosyl ester, labeled with carbon-14
    • 100634-21-7
    • [[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
    • Inchi： 1S/C16H24N8O15P2/c17-12-6-13(20-3-19-12)24(16(21-6)22-23-18)14-10(29)8(27)5(36-14)2-35-40(31,32)39-41(33,34)38-15-11(30)9(28)7(26)4(1-25)37-15/h3-5,7-11,14-15,25-30H,1-2H2,(H,31,32)(H,33,34)(H2,17,19,20)/t4-,5-,7-,8-,9+,10-,11-,14-,15?/m1/s1
    • InChI Key： UNUATZXMYNAGSY-ZQVROCHNSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OC1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=[N+]=[N-])=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 630.08382
  • Monoisotopic Mass: 630.083635
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 10
  • Complexity: 1080
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 326
  • XLogP3: -5

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 399.58

Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI) Related Literature

100634-21-7 (Adenosine5'-(trihydrogen diphosphate), 8-azido-, P'-a-D-glucopyranosyl ester, labeled with carbon-14 (9CI)) Related Products

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