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77172-69-1 | pyridoxal phosphoglucose
CAS No: 77172-69-1 Catalog No: AG00GGN3 MDL No:
Product Description
Catalog Number:
AG00GGN3
Chemical Name:
pyridoxal phosphoglucose
CAS Number:
77172-69-1
IUPAC Name:
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
InChI:
InChI=1S/C14H20NO11P/c1-6-10(18)8(3-16)7(2-15-6)5-24-27(22,23)26-14-13(21)12(20)11(19)9(4-17)25-14/h2-3,9,11-14,17-21H,4-5H2,1H3,(H,22,23)/t9-,11-,12+,13-,14+/m1/s1
InChI Key:
JQSBWFKSSMLCOB-LPUQOGTASA-N
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
409.077g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
409.284g/mol
Monoisotopic Mass:
409.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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