disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-4-oxochromene-2-carboxylate


Chemical Name: disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
CAS Number: 15826-37-6
Product Number: AG003UC5(AGN-PC-07Y4GP)
Synonyms:
MDL No: MFCD00057744
Molecular Formula: C23H14Na2O11
Molecular Weight: 512.3302

Identification/Properties


Properties
MP:
241-2420C (dec)
BP:
752.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
512.334g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
6
Exact Mass:
512.033g/mol
Monoisotopic Mass:
512.033g/mol
Topological Polar Surface Area:
172A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
824
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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