AG003RLH

3601-36-3 | (2S,3R,4S,5S,6R)-6-((Benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate

AG003RLH

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CAS Number	3601-36-3
Catalog Number	AG003RLH(AGN-PC-0RBIPH)
Chemical Name	(2S,3R,4S,5S,6R)-6-((Benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate
EC Number	609-199-4
IUPAC Name	[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
InChI	InChI=1S/C28H26O9/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(29)21(35-28)17-34-25(30)18-11-5-2-6-12-18/h2-16,21-24,28-29H,17H2,1H3/t21-,22+,23+,24-,28+/m1/s1
InChI Key	WXFFEILSURAFKL-SUWSLWCISA-N
MDL Number	MFCD06200842
Molecular Formula	C28H26O9
Molecular Weight	506.5006
SMILES	C(C1=CC=CC=C1)(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1OC(C1=CC=CC=C1)=O)O)COC(C1=CC=CC=C1)=O)OC
Synonyms	3601-36-3, Methyl 2,3,6-Tri-O-benzoyl-alpha-D-galactopyranoside, Methyl 2,3,6-tri-O-benzoyl-a-D-galactopyranoside, (2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate, WXFFEILSURAFKL-SUWSLWCISA-N, SCHEMBL1682180, CTK8B3436, DTXSID80448643, ANW-42517, MFCD06200842, NSC 50742, ZINC77303461, AKOS027321021, CM-1189, DB-069296, TR-014823, FT-0672247, Methyl D-galactopyranoside 2,3,6-tribenzoate, Methyl 2,3,6-tri-O-benzoyl-|A-D-galactopyranoside, W-202494, Methyl 2-O,3-O,6-O-tribenzoyl-alpha-D-galactopyranoside, (2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate, NSC50742, CID10929259, |A-D-Galactopyranoside, methyl, 2,3,6-tribenzoate, METHYL2,3,6-TRI-O-BENZOYL-ALPHA-D-GALACTOPYRANOSIDE,

Complexity	753
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	506.158g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	506.507g/mol
Monoisotopic Mass	506.158g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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