AG008TFM

1103738-30-2 | D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-,(5S)-

AG008TFM

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CAS Number	1103738-30-2
Catalog Number	AG008TFM(AGN-PC-0WAMGR)
Chemical Name	D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-,(5S)-
EC Number	695-300-7
IUPAC Name	[(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone
InChI	InChI=1S/C23H25ClO6/c1-4-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)24)18(25)20-19(26)21-22(28-20)30-23(2,3)29-21/h5-10,12,19-22,26H,4,11H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChI Key	TUBVOYXRJBKZBN-MLNNCEHLSA-N
MDL Number	MFCD25977360
Molecular Formula	C23H25ClO6
Molecular Weight	432.8940
SMILES	O=C(C1=CC=C(Cl)C(CC2=CC=C(OCC)C=C2)=C1)[C@H]3[C@@H](O)[C@]4([H])OC(C)(C)O[C@]4([H])O3
Synonyms	1103738-30-2, (4-chloro-3-(4-ethoxybenzyl)phenyl)((3as,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone, D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-,(5S)-, (4-CHLORO-3-(4-ETHOXYBENZYL)PHENYL)((3AS,5R,6S,6AS)-6-HYDROXY-2,2-DIMETHYLTETRAHYDROFURO[3,2-D][1,3]DIOXOL-5-YL)METHANONE, SCHEMBL1933523, [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone, BCP16620, CS-M2124, 2879AH, MFCD25977360, AKOS027253548, ZINC117571145, DS-10326, C23H25ClO6, ACN-037455,

Complexity	605
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	432.134g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	432.897g/mol
Monoisotopic Mass	432.134g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	74.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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