AG00IBBX

642-38-6 | L-chiro-Inositol, 2-O-methyl-

AG00IBBX

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CAS Number	642-38-6
Catalog Number	AG00IBBX(AGN-PC-0TBXEB)
Chemical Name	L-chiro-Inositol, 2-O-methyl-
IUPAC Name	(1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
InChI	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5+,6+,7?/m0/s1
InChI Key	DSCFFEYYQKSRSV-MBXCVVGISA-N
MDL Number	MFCD00021405
Molecular Formula	C7H14O6
Molecular Weight	194.1825
SMILES	O(C)[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
UNII	9W4JLQ7I4W
Synonyms	2-O-methyl-chiro-inositol, 2-O-methylchiroinositol, quebrachitol, quebrachitol, (L-chiro)-isomer, L-Quebrachitol, (-)-Quebrachitol, 642-38-6, Quebrachitol, 2-O-Methyl-L-chiro-inositol, UNII-9W4JLQ7I4W, Quebrachitol, L-, Quebrachit, 2-O-Methyl-chiro-inositol, 9W4JLQ7I4W, CHEBI:111, 1L-2-O-methyl-chiro-inositol, Quebrachitol, (-)-, (1R,2S,3S,4S,5R,6R)-6-Methoxycyclohexane-1,2,3,4,5-pentaol, L-chiro-Inositol, 2-O-methyl-, (1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol, Brahol, NSC-26254, 1-O-methyl-muco-inositol, Inositol, 2-O-methyl-, L-(-)-2-O-Methylinositol, Pinitol TMS, Inositol, 2-O-methyl-, L-chiro-, AC1L45OR, AC1Q41EO, SCHEMBL240345, CHEMBL501109, L-chiro-Inositol,2-O-methyl-, CTK8G0661, D-chiro-Inositol, 2-O-methyl-, DSCFFEYYQKSRSV-FIZWYUIZSA-N, 3564-07-6, ZINC4097492, KM0835, MFCD00021405, AKOS027327479, ZINC100056016, ZINC238742017, FCH3937986, AK325202, FT-0625606, FT-0650944, FT-0694791, C08257, M02437, W-203384, (1R,2S,3S,4S,5R,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol, 2B678708-4698-466E-88D8-3443A058E849, Pinitol, CID151108, ACN-047694, O(C)C1C(O)C(O)C(O)C(O)C1O,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	194.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	194.183g/mol
Monoisotopic Mass	194.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number