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123408-98-0 | myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt, hydrate (1:12:?)
CAS No: 123408-98-0 Catalog No: AG000KJ5 MDL No:MFCD00149213
Product Description
Catalog Number:
AG000KJ5
Chemical Name:
myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt, hydrate (1:12:?)
CAS Number:
123408-98-0
MDL Number:
MFCD00149213
IUPAC Name:
dodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate;hydrate
InChI:
InChI=1S/C6H18O24P6.12Na.H2O/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;;;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;;;;;;1H2/q;12*+1;/p-12
InChI Key:
IHFMYFHNGBHKCG-UHFFFAOYSA-B
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
14
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
941.655g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
25
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
941.825g/mol
Monoisotopic Mass:
941.655g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
436A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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