1-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-3-(phosphonooxy)-,trisodium salt, [3R-(3a,4a,5b)]-


Chemical Name: 1-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-3-(phosphonooxy)-,trisodium salt, [3R-(3a,4a,5b)]-
CAS Number: 143393-03-7
Product Number: AG009F16(AGN-PC-0PTYC9)
Synonyms:
MDL No:
Molecular Formula: C7H8Na3O8P
Molecular Weight: 320.0767

Identification/Properties


Computed Properties
Molecular Weight:
320.076g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
319.965g/mol
Monoisotopic Mass:
319.965g/mol
Topological Polar Surface Area:
153A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
340
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
4
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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