AG008QXU

73464-50-3 | 2,3,4-Tri-O-acetyl-D-glucuronide methyl ester

AG008QXU

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CAS Number	73464-50-3
Catalog Number	AG008QXU(AGN-PC-0U33FK)
Chemical Name	2,3,4-Tri-O-acetyl-D-glucuronide methyl ester
IUPAC Name	methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate
InChI	InChI=1S/C13H18O10/c1-5(14)20-8-9(21-6(2)15)11(22-7(3)16)13(18)23-10(8)12(17)19-4/h8-11,13,18H,1-4H3/t8-,9-,10-,11+,13+/m0/s1
InChI Key	CLHFNXQWJBTGBL-HKLXJQGRSA-N
MDL Number	MFCD09750817
Molecular Formula	C13H18O10
Molecular Weight	334.2760
SMILES	O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](C(OC)=O)O[C@@H](O)[C@@H]1OC(C)=O
Synonyms	73464-50-3, 2,3,4-TRI-O-ACETYL-BETA-D-GLUCURONIC ACID METHYL ESTER, (2R,3R,4S,5S,6S)-2-Hydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, 2,3,4-Tri-O-acetyl-D-glucuronide methyl ester, SCHEMBL6932536, KM1554, ZINC34468510, AKOS027328049, GS-6153, 2,3,4-Tri-o-acetyl-A-D-glucuronic acid methyl ester (mixture of alpha and beta), methyl (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-hydroxyoxane-2-carboxylate, CID10782914, 2,3,4-Tri-O-acetyl-D-glucuronidemethylester, Methyl (2S,3R,4S,5R)-3,4,5-triacetyloxy-6-hydroxy-oxane-2-carboxylate, 163706-58-9,

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	334.09g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	334.277g/mol
Monoisotopic Mass	334.09g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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