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Home> Hot Product Listed B   > beta-D-erythro-Pentofuranuronic acid, 2-deoxy- (9CI)
14906-61-7 structure

beta-D-erythro-Pentofuranuronic acid, 2-deoxy- (9CI)

Iupac Name:3-methoxy-1-oxidopyridin-1-ium
CAS No.:14906-61-7
Molecular Weight:125.12528
Molecular Formula:C7H14N2O2S (isomer)
Names and Identifiers
Synonyms

(2s,3s,5r)-3,5-dihydroxyoxolane-2-carboxylic acid (2s,3s,5r)-3,5-dihydroxytetrahydrofuran-2-carboxylic acid AK436359 AKOS006382278

Inchi
InChI=1S/C6H7NO2/c1-9-6-3-2-4-7(8)5-6/h2-5H,1H3
InChkey
CREDSSUYAKFWJO-UHFFFAOYSA-N
Canonical Smiles
COC1=C[N+](=CC=C1)[O-]
Properties
Boiling Point
343.3°C at 760 mmHg
Vapour
0.0012mmHg at 25°C
Refractive Index
1.501
HS Code
29333990
Safety and Handling
Safety Statements
24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:125.12528g/mol
  • Molecular Formula:C7H14N2O2S
  • XLogP3-AA:_0.3
  • Exact Mass:125.047678
  • Monoisotopic Mass:125.047678
  • Complexity:87.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.7
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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