Cas no 30031-63-1 (1,2-Ethanediol,1-oxiranyl-, 2-methanesulfonate, [S-(R*,R*)]- (9CI))

1,2-Ethanediol,1-oxiranyl-, 2-methanesulfonate, [S-(R*,R*)]- (9CI) structure
30031-63-1 structure
Product Name:1,2-Ethanediol,1-oxiranyl-, 2-methanesulfonate, [S-(R*,R*)]- (9CI)
CAS No:30031-63-1
MF:C5H10O5S
MW:182.194900989532
CID:316400
PubChem ID:161653
Update Time:2025-04-19

1,2-Ethanediol,1-oxiranyl-, 2-methanesulfonate, [S-(R*,R*)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol,1-oxiranyl-, 2-methanesulfonate, [S-(R*,R*)]- (9CI)
    • [(2S)-2-hydroxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate
    • DTXSID90184101
    • (2s,3s)-1,2-epoxy-3,4-butanediol 4-methanesulfonate
    • (2S,3S)-3,4-Epoxy-2-hydroxybutyl methanesulfonate
    • (S-(R*,R*))-1-Oxiranyl-1,2-ethanediol 2-methanesulfonate
    • 1,2-Ethanediol, 1-oxiranyl-, 2-methanesulfonate, (S-(R*,R*))-
    • 30031-63-1
    • Inchi: 1S/C5H10O5S/c1-11(7,8)10-2-4(6)5-3-9-5/h4-6H,2-3H2,1H3/t4-,5-/m0/s1
    • InChI Key: RWHFAHDZGBOUSK-WHFBIAKZSA-N
    • SMILES: S(C)(=O)(=O)OC[C@@H]([C@@H]1CO1)O

Computed Properties

  • Exact Mass: 182.0249
  • Monoisotopic Mass: 182.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.3
  • Topological Polar Surface Area: 84.5?2

Experimental Properties

  • Density: 1.502
  • Boiling Point: 391.6°Cat760mmHg
  • Flash Point: 190.6°C
  • Refractive Index: 1.521
  • PSA: 76.13
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