Cas no 5329-44-2 (D-glycero-D-manno-Heptonicacid, g-lactone)

D-glycero-D-manno-Heptonicacid, g-lactone structure
5329-44-2 structure
Product Name:D-glycero-D-manno-Heptonicacid, g-lactone
CAS No:5329-44-2
MF:C7H12O7
MW:208.165983200073
CID:380771
PubChem ID:78942
Update Time:2025-04-19

D-glycero-D-manno-Heptonicacid, g-lactone Chemical and Physical Properties

Names and Identifiers

    • D-glycero-D-manno-Heptonicacid, g-lactone
    • NSC2554
    • D-GLYCERO-D-MANNO-HEPTONIC ACID, .γ.-LACTONE
    • FT-0640655
    • NS00041246
    • D-GLYCERO-D-MANNO-HEPTONIC ACID, .GAMMA.-LACTONE
    • C55D66F2-84AF-4100-8B79-B4774F6C74DF
    • 89-67-8
    • VIVCRCODGMFTFY-UHFFFAOYSA-
    • NSC-34634
    • NSC-2554
    • NSC34634
    • FT-0699777
    • VIVCRCODGMFTFY-UHFFFAOYSA-N
    • 3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)oxolan-2-one
    • SY317417
    • D-Glycero-D-gulo-heptonic acid, .gamma.-lactone
    • D-Glycero-D-gulo-heptono-1,4-lactone
    • Q1484092
    • InChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2
    • MFCD29039122
    • 15397-08-7
    • 5329-44-2
    • NSC2558
    • Glucoheptonic acid-1,4-lactone
    • 221129-03-9
    • NSC-2558
    • SCHEMBL4385268
    • Inchi: 1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2
    • InChI Key: VIVCRCODGMFTFY-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C1C(C(CO)O)O)O)O)=O

Computed Properties

  • Exact Mass: 208.058
  • Monoisotopic Mass: 208.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 218
  • 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
  • Topological Polar Surface Area: 127A^2
  • XLogP3: -2.6

Experimental Properties

  • Density: 1.61
  • Boiling Point: 461°C at 760 mmHg
  • Flash Point: 192.1°C
  • Refractive Index: 1.565
  • PSA: 127.45000
  • LogP: -3.65230
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