L-Quebrachitol

CAT: 0926-FQ02486-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FQ02486-01Size:0.5 g

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CAS Number

642-38-6

MDL Number

MFCD00021405

Smiles

COC1[C@@H] ([C@H] (C ([C@@H] ([C@H]1O) O) O) O) O

Molecular Formula

C7H14O6

Molecular Weight

194.19 g/mol

Controlled

Chemical Information

L-Quebrachitol

L-Quebrachitol is a member of cyclohexanols.

CAS Number	642-38-6
PubChem CID	151108
IUPAC Name	(1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
Molecular Formula	C7H14O6
Molecular Weight	194.18
XLogP	-3.2
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	158

SMILES

COC1[C@@H]([C@H](C([C@@H]([C@H]1O)O)O)O)O

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

InChIKey

DSCFFEYYQKSRSV-MBXCVVGISA-N

Chemical Structure

2D Structure

CAS: 642-38-6

CID: 151108

Formula: C7H14O6

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	-3.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	194.07903816
Monoisotopic Mass	194.07903816
Topological Polar Surface Area	110 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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