Cas no 52085-70-8 (D-glycero-D-ido-Heptonicacid, d-lactone)

D-glycero-D-ido-Heptonicacid, d-lactone structure
52085-70-8 structure
Product Name:D-glycero-D-ido-Heptonicacid, d-lactone
CAS No:52085-70-8
MF:C7H12O7
MW:208.165983200073
CID:373912
PubChem ID:104074
Update Time:2025-04-19

D-glycero-D-ido-Heptonicacid, d-lactone Chemical and Physical Properties

Names and Identifiers

    • D-glycero-D-ido-Heptonicacid, d-lactone
    • D-glycero-D-ido-heptono-.delta.-lactone
    • (3S,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name)
    • D-Glycero-D-ido-Heptonic acid, delta-lactone
    • DTXSID601273680
    • NS00125439
    • 52085-70-8
    • EINECS 257-653-1
    • Inchi: 1S/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4-,5+,6-/m1/s1
    • InChI Key: SUNCWTXGGFSVJR-DGPNFKTASA-N
    • SMILES: O1C([C@H]([C@@H]([C@H]([C@H]1[C@@H](CO)O)O)O)O)=O

Computed Properties

  • Exact Mass: 208.058
  • Monoisotopic Mass: 208.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 38
  • Complexity: 543
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 16.2
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • Density: 1.801
  • Boiling Point: 540.7°Cat760mmHg
  • Flash Point: 225.3°C
  • Refractive Index: 1.644
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