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129365-68-0 | D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate), hexasodium salt (9CI)
CAS No: 129365-68-0 Catalog No: AG000Z3U MDL No:
Product Description
Catalog Number:
AG000Z3U
Chemical Name:
D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate), hexasodium salt (9CI)
CAS Number:
129365-68-0
IUPAC Name:
hexasodium;[(1R,2R,3R,4R,5R,6S)-2-fluoro-3,5-dihydroxy-4,6-diphosphonatooxycyclohexyl] phosphate
InChI:
InChI=1S/C6H14FO14P3.6Na/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12;;;;;;/h1-6,8-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;;/q;6*+1/p-6/t1-,2+,3-,4+,5+,6+;;;;;;/m1....../s1
InChI Key:
VFNWMLQRKXRHML-WWQPYMEFSA-H
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
7
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
553.85g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
553.974g/mol
Monoisotopic Mass:
553.85g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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