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71510-36-6 | Pyridoxal triphosphate
CAS No: 71510-36-6 Catalog No: AG005H4U MDL No:
Product Description
Catalog Number:
AG005H4U
Chemical Name:
Pyridoxal triphosphate
CAS Number:
71510-36-6
Molecular Formula:
C8H12NO12P3
Molecular Weight:
407.1017
IUPAC Name:
3-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]methyl]-2-methylpyridine-4-carboxylic acid
InChI:
InChI=1S/C8H12NO12P3/c1-4-7(10)6(8(11)12)5(2-9-4)3-22(13,14)20-24(18,19)21-23(15,16)17/h2,10H,3H2,1H3,(H,11,12)(H,13,14)(H,18,19)(H2,15,16,17)
InChI Key:
WFYHDHNXBXNRNK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cnc(c1O)C)CP(=O)(OP(=O)(OP(=O)(O)O)O)O
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.957g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
407.1g/mol
Monoisotopic Mass:
406.957g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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