Allitol

CAT: 0024-sc-284946Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-284946Size:50 mg

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CAS Number

488-44-8

Chemical Information

Allitol

Allitol is a hexitol.

CAS Number	488-44-8
PubChem CID	120700
IUPAC Name	(2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol
Molecular Formula	C6H14O6
Molecular Weight	182.17
XLogP	-3.1
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	105

SMILES

C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O

InChI

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+

InChIKey

FBPFZTCFMRRESA-FBXFSONDSA-N

Chemical Structure

2D Structure

CAS: 488-44-8

CID: 120700

Formula: C6H14O6

MW: 182.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	-3.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	182.07903816
Monoisotopic Mass	182.07903816
Topological Polar Surface Area	121 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	105
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
BUP01930-01	Allitol
HY-N2840R	Allitol (Standard)
HY-N2840S-01	Allitol-13C
163296	D-Allitol-13C
TRC-A067205-10MG	Allitol 6-Phosphate Barium salt
MC08728-01	6-Chloro-6-deoxy-D-allitol
427168-01	3,4-O-Cyclohexylidene-1-deoxy-D-allitol-d3
MBS6120329-01	1,5:2,3-Dianhydro-4,6-O-benzylidene-D-allitol