Cas no 121363-69-7 (b-D-Glucopyranose,1,6-anhydro-2-deoxy-2-[[(2-propen-1-yloxy)carbonyl]amino]-)

b-D-Glucopyranose,1,6-anhydro-2-deoxy-2-[[(2-propen-1-yloxy)carbonyl]amino]- structure
121363-69-7 structure
Product Name:b-D-Glucopyranose,1,6-anhydro-2-deoxy-2-[[(2-propen-1-yloxy)carbonyl]amino]-
CAS No:121363-69-7
MF:C10H15NO6
MW:245.229203462601
CID:183599
PubChem ID:196766
Update Time:2025-04-19

b-D-Glucopyranose,1,6-anhydro-2-deoxy-2-[[(2-propen-1-yloxy)carbonyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranose,1,6-anhydro-2-deoxy-2-[[(2-propen-1-yloxy)carbonyl]amino]-
    • 2-allyloxycarbonylamino-1,6-anhydro-2-deoxyglucopyranose
    • Aocaadg
    • prop-2-en-1-yl [(1S,2S,3R,4R,5S)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]carbamate (non-preferred name)
    • prop-2-enyl N-[(1S,2S,3R,4R,5S)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]carbamate
    • 121363-69-7
    • Inchi: 1S/C10H15NO6/c1-2-3-15-10(14)11-6-8(13)7(12)5-4-16-9(6)17-5/h2,5-9,12-13H,1,3-4H2,(H,11,14)/t5-,6+,7+,8+,9-/m0/s1
    • InChI Key: HJQJODXPOUPZAU-CBHQDSPSSA-N
    • SMILES: O1[C@H]2[C@@H]([C@H]([C@@H]([C@@H]1CO2)O)O)NC(=O)OCC=C

Computed Properties

  • Exact Mass: 245.089937
  • Monoisotopic Mass: 245.089937
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 309
  • 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
  • Topological Polar Surface Area: 97.2
  • XLogP3: -1.1

Experimental Properties

  • Density: 1.41
  • Boiling Point: 463.6°Cat760mmHg
  • Flash Point: 234.2°C
  • Refractive Index: 1.558
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