AG003V55

80040-79-5 | Tri-O-Benzyl-D-galactal

AG003V55

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CAS Number	80040-79-5
Catalog Number	AG003V55(AGN-PC-0UG56Y)
Chemical Name	Tri-O-Benzyl-D-galactal
IUPAC Name	(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
InChI	InChI=1S/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26-,27-/m1/s1
InChI Key	MXYLLYBWXIUMIT-ZONZVBGPSA-N
MDL Number	MFCD09039276
Molecular Formula	C27H28O4
Molecular Weight	416.5088
SMILES	[C@@H]1(OCC2=CC=CC=C2)C=CO[C@H](COCC3=CC=CC=C3)[C@@H]1OCC4=CC=CC=C4
Synonyms	Tri-O-benzyl-D-galactal, 3,4,6-Tri-O-benzyl-D-galactal, 80040-79-5, C27H28O4, AC1MC1TQ, SCHEMBL4383944, Tri-O-benzyl-D-galactal, 98%, DTXSID80370475, (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran, ZINC4284525, 7816AH, KM2007, MFCD09039276, AKOS025404269, FCH3991548, AS-40585, FT-0772200, W-203831, 3-O,4-O,6-O-Tribenzyl-1,2-dideoxy-D-lyxo-1-hexenopyranose, 1,5-Anhydro-2-deoxy-D-lyxo-hex-1-enitol 3,4,6-Tribenzyl Ether, ZINC04262100, CID2734741, T1858,

Complexity	503
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	416.199g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	416.517g/mol
Monoisotopic Mass	416.199g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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