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Home> Hot Product Listed 1   > 10D-048
41514-64-1 structure

10D-048

Iupac Name:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
CAS No.:41514-64-1
Molecular Weight:346.332
Molecular Formula:C15H13NO6S (isomer)
Names and Identifiers
Synonyms

3-[2-[2-chloroanilino]-1,3-th iazol-5-yl]-3-oxo-n-p henylpropanamide 3-[2-[2-chloroanilino]-1,3-thiazol-5-yl]-3-oxo-n-phenylpropanamide 3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-5-yl}-3-oxo-n-phenylpropanamide AKOS005074077 HE008497 MOLPORT-002-850-009 OPREA1_757436 ZINC3029779

Inchi
InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15-/m1/s1
InChkey
NBLLRWANAFOKON-ZHZXCYKASA-N
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)O
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:346.332g/mol
  • Molecular Formula:C15H13NO6S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.6
  • Exact Mass:346.126
  • Monoisotopic Mass:346.126
  • Complexity:368
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:127A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:5
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAABAAAAGgAACAAACBSwkAMyDoAABgCA ACBCAAACCAAgIAAAiAAGiIgdNyKEMRqieCKlwBUPqAfAYAwAAQAACAAAQAACAAAQAACAAAAAAAAA AA==
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  • Fax:
  • Tel:+44 (0)208 191 7890
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  • Tel:1-631-5046093
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