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Home> Hot Product Listed T   > Thiophosphoric acid S-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinylmethyl]O-sodium salt
30220-43-0 structure

Thiophosphoric acid S-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinylmethyl]O-sodium salt

CAS No.:30220-43-0
Molecular Weight:348.439
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

4-pyridinemethanol, 3-hydroxy-2-methyl-5-((phosphonothio)methyl)-, monosodium salt AC1Q1VBP LS-108929 phosphorothioic acid, s-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) ester, monosodium salt pyridoxine-5-thiophosphate sodium salt sodium pyridoxine-5-thiophosphate sodium s-{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl} hydrogen phosphorothioate

Inchi
InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13+,14-,16+,18-,19+,20-/m1/s1
InChkey
PXLVZESUZUOWAJ-SLMDOUBJSA-N
Canonical Smiles
CC1(CCC(C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)O)C
Properties
Boiling Point
815.2°C at 760 mmHg
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:348.439g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:348.194
  • Monoisotopic Mass:348.194
  • Complexity:686
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:87A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:8
  • 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: AAADceB4OAAAAAAAAAAAAAAAAAAAAYAAAAA0aMECBgAAAADQAAAAGgAACAAADxSggAICCAAABgCI AoBSAAAAAAAgAAAAAAEAAEgREBYAAQACQAAFoAAHAIHK7PzPgAAAAAAAAADAAAYAADCAAQAAAAAA AA==
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  • Fax:0086-531-58773066
  • Tel:86-21-60542966
  • Fax:86-21-61916468
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