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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

b-D-Glucopyranosiduronicacid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl, trihydrate (9CI)

OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)O.O.O.O Request for Quotation
Chemical Name: b-D-Glucopyranosiduronicacid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl, trihydrate (9CI)
CAS Number: 199329-67-4
Product Number: AG002C25(AGN-PC-0QQICN)
Synonyms:
MDL No: MFCD00150472
Molecular Formula: C16H22O12
Molecular Weight: 406.3387

Identification/Properties

Computed Properties
Molecular Weight:
406.34g/mol
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
3
Exact Mass:
406.111g/mol
Monoisotopic Mass:
406.111g/mol
Topological Polar Surface Area:
146A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
574
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
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

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid trihydrate is a versatile compound commonly used in chemical synthesis due to its unique structural properties. This compound is particularly valuable in organic chemistry as it can serve as a key building block for the synthesis of various complex molecules. Its pentahydroxyhexanoic acid structure offers multiple functional groups that can be manipulated to introduce specific chemical moieties or form crucial chemical bonds. In addition, the presence of a chromenone moiety further expands its potential applications in the synthesis of bioactive compounds or natural product derivatives. Overall, the strategic incorporation of (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid trihydrate in chemical reactions allows for the efficient construction of diverse molecular architectures with targeted functionalities.