AG006XCX

461432-25-7 | (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

AG006XCX

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CAS Number	461432-25-7
Catalog Number	AG006XCX(AGN-PC-0RUBX9)
Chemical Name	(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
EC Number	930-010-9
IUPAC Name	[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
InChI	InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1
InChI Key	DKOQYKRDCDCNOR-ZCCUTQAASA-N
MDL Number	MFCD22494949
Molecular Formula	C29H33ClO10
Molecular Weight	577.0193
SMILES	CCOC1=CC=C(C=C1)CC2=CC([C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)=CC=C2Cl
Synonyms	461432-25-7, (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate, (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol tetraacetate, DKOQYKRDCDCNOR-ZCCUTQAASA-N, AK-94296, Dapagliflozin Tetraacetate, SCHEMBL208112, C29H33ClO10, CTK8B6767, DTXSID50439487, KS-00000Q1X, 6348AB, ANW-54287, MFCD22494949, AKOS015999910, ZINC100022448, DS-17942, AX8231643, TC-143032, CS-0009472, (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H, (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)-phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-tr, acetic acid (2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-tetrahydro-pyran-2-ylmethyl ester, Dapagliflozin Tetraacetate ([(2R,3R,4R,5S,6S)-3,4,5-Triacetoxy-6-[4-chloro-3-(4-ethoxybenzyl)phenyl]tetrahydropyran-2-yl]methyl Acetate), Tetra acetyl Dapagliflozin, -pyran-3,4,5-triyl triacetate, ACN-037453, CS-O-14895, CID10415783, CID 10415783, EC 930-010-9, (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(4-chloro-3-(4-ethoxybenzyl)phenyl)-D-glucitol, (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol,

Complexity	873
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	576.176g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	577.023g/mol
Monoisotopic Mass	576.176g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	124A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number