AG00DA3T

55722-49-1 | Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside

AG00DA3T

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CAS Number	55722-49-1
Catalog Number	AG00DA3T(AGN-PC-0SJIOL)
Chemical Name	Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
InChI	InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13+,14+,15-,16+/m1/s1
InChI Key	YPNFVZQPWZMHIF-CWVYHPPDSA-N
MDL Number	MFCD00233283
Molecular Formula	C16H24O9S
Molecular Weight	392.4214
SMILES	CCS[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1
Synonyms	55722-49-1, Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside, ethyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside, Ethyl 2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside, Ethyl 2,3,4,6-tetra-O-acetyl-a-D-thiogalactopyranoside, Ethly-2,3,4,6-tetra-O-acetyl-beta-D-thiogalactopyranoside, 126187-25-5, C16H24O9S, PubChem9900, Ethyl 2,3,4,6-Tetra-O-acetyl-alpha-D-thiogalactopyranoside, SCHEMBL3821203, CTK8F9565, DTXSID30441927, YPNFVZQPWZMHIF-CWVYHPPDSA-N, MFCD00233283, ZINC33358924, AKOS015919043, AJ-85876, AX8128049, FT-0660053, W0545, K-9932, W-200991, W-203104, 1-(Ethylthio)-1-deoxy-beta-D-galactopyranose tetraacetate, a-D-Galactopyranoside,ethyl1-thio-,2,3,4,6-tetraacetate, Ethyl 2,3,4,6-tetra-o-acetyl-beta-D-thiogalactopyranoside, (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-(ethylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate, NSC43886, ACN-049866, CB10552, CID10572588, Ethyl-2,3,4,6-tetraacetyl-b-L-thiogalactopyranoside, Ethly-2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside, Ethyl2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	392.114g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	392.419g/mol
Monoisotopic Mass	392.114g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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