Cas no 52019-12-2 (a-D-Glucopyranoside, methyl3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]-)

a-D-Glucopyranoside, methyl3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]- structure
52019-12-2 structure
Product Name:a-D-Glucopyranoside, methyl3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]-
CAS No:52019-12-2
MF:C9H17N3O7
MW:279.247182607651
CID:380697
PubChem ID:291285
Update Time:2025-04-19

a-D-Glucopyranoside, methyl3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranoside, methyl3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]-
    • Glucopyranoside, methyl 3-deoxy-3-(3-methyl-3-nitrosoureido)-, .α.-D-
    • DTXSID10303054
    • methyl 3-deoxy-3-{[methyl(nitroso)carbamoyl]amino}hexopyranoside
    • .alpha.-D-Glucopyranoside, methyl 3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]-
    • 52019-10-0
    • NSC-160466
    • NSC-156273
    • NCI60_001194
    • 52019-12-2
    • Methyl 3-deoxy-3-({hydroxy[methyl(nitroso)amino]methylidene}amino)hexopyranoside
    • NSC160466
    • DTXSID00966359
    • Altropyranoside, .alpha.-D-
    • NSC156273
    • CHEMBL1969565
    • Inchi: 1S/C9H17N3O7/c1-12(11-17)9(16)10-5-6(14)4(3-13)19-8(18-2)7(5)15/h4-8,13-15H,3H2,1-2H3,(H,10,16)
    • InChI Key: ITMFEGUZHKHAGY-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C(C1CO)O)NC(N(C)N=O)=O)O)OC

Computed Properties

  • Exact Mass: 279.107
  • Monoisotopic Mass: 279.107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 329
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.9
  • Topological Polar Surface Area: 141?2

Experimental Properties

  • Ionization Potential: 9.61 eV
  • Density: 1.45 (AIR= 1)
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