AG00BEPR

27299-12-3 | Glucitol, 1,4-anhydro-

AG00BEPR

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CAS Number	27299-12-3
Catalog Number	AG00BEPR(AGN-PC-0O8HTC)
Chemical Name	Glucitol, 1,4-anhydro-
IUPAC Name	(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
InChI	InChI=1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
InChI Key	JNYAEWCLZODPBN-JGWLITMVSA-N
MDL Number	MFCD00272634
Molecular Formula	C6H12O5
Molecular Weight	164.1565
SMILES	[H][C@@]1(OC[C@H](O)[C@H]1O)[C@H](O)CO
Synonyms	1,4-Anhydro-D-glucitol, 1,4-Sorbitan, Sorbitan, 27299-12-3, UNII-AV0YTZ4E6J, 1,4-Anhydro-D-sorbitol, UNII-6O92ICV9RU, AV0YTZ4E6J, 6O92ICV9RU, 12441-09-7, Arlitan, EINECS 235-671-0, EINECS 248-391-9, 1,4-anhydrosorbitol, 1,4-Anhydroglucitol, (3S)-2-(1,2-dihydroxyethyl)oxolane-3,4-diol, SCHEMBL1386, CTK8F2996, JNYAEWCLZODPBN-JGWLITMVSA-N, ZINC5157121, AKOS006274480, 100402-56-0, FT-0662210, W-202151, D-Glucitol, anhydro-, D-Glucitol, 1,4-anhydro-, EINECS 309-491-9, C6-H12-O5, CID10953859, d-Glucose, ether with 1,4-anhydro-d-glucitol,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	164.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	164.157g/mol
Monoisotopic Mass	164.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H319
Precuationary statements	P301+P310+P330-P305+P351+P338
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