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51989-45-8 | Thiophosphoric acid S-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinylmethyl]O-sodium salt
CAS No: 51989-45-8 Catalog No: AG00E2B8 MDL No:
Product Description
Catalog Number:
AG00E2B8
Chemical Name:
Thiophosphoric acid S-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinylmethyl]O-sodium salt
CAS Number:
51989-45-8
IUPAC Name:
sodium;hydroxy-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanyl]phosphinate
InChI:
InChI=1S/C8H12NO5PS.Na/c1-5-8(11)7(3-10)6(2-9-5)4-16-15(12,13)14;/h2,10-11H,3-4H2,1H3,(H2,12,13,14);/q;+1/p-1
InChI Key:
KXSGDBHXDHNGMY-UHFFFAOYSA-M
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.202g/mol
Monoisotopic Mass:
286.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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