AG003PA4

1941-52-2 | D-Glucose Diethyl Mercaptal

AG003PA4

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CAS Number	1941-52-2
Catalog Number	AG003PA4(AGN-PC-0QMMQY)
Chemical Name	D-Glucose Diethyl Mercaptal
EC Number	217-728-1
IUPAC Name	(2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol
InChI	InChI=1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChI Key	BTOYCPDACQXQRS-LURQLKTLSA-N
MDL Number	MFCD00004706
Molecular Formula	C10H22O5S2
Molecular Weight	286.4087
SMILES	CCSC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Synonyms	1941-52-2, D-GLUCOSE DIETHYL MERCAPTAL, D-Glucose diethyl dithioacetal, D-glucosediethylmercaptal, D-Glucose diethylmercaptal, MFCD00004706, (2R,3R,4S,5R)-6,6-Bis(ethylthio)hexane-1,2,3,4,5-pentaol, MLS000028527, SMR000058293, PubChem9903, AC1LCWFV, Opera_ID_1736, glucose diethyl dithioacetal, MLS001148077, SCHEMBL905563, (2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol, CHEMBL1372335, HMS2234N22, ZINC2146029, AKOS004903192, API0002296, CCG-249811, MCULE-2195056812, KS-000015N8, CJ-32965, FT-0624559, G0259, D-Glucose, diethyl dithioacetal, D-Glucose, diethyl mercaptal, D-Glucose-diethyldithioacetal, C10H22O5S2, EINECS 217-728-1, CID657375, C10-H22-O5-S2, CB10555, AI3-20767,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	286.091g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	286.401g/mol
Monoisotopic Mass	286.091g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	152A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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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