2,5-Anhydro-D-glucitol

CAT: 0926-MA04561-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-MA04561-01Size:10 mg

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CAS Number

27826-73-9

MDL Number

MFCD01863341

Smiles

C ([C@@H]1[C@H] ([C@@H] ([C@@H] (O1) CO) O) O) O

Molecular Formula

C6H12O5

Molecular Weight

164.16 g/mol

Controlled

Chemical Information

2,5-anhydro-D-glucitol

CAS Number	27826-73-9
PubChem CID	176465
IUPAC Name	(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C6H12O5
Molecular Weight	164.16
XLogP	-1.5
Topological Polar Surface Area	90.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

C([C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O)O

InChI

InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1

InChIKey

MCHWWJLLPNDHGL-JGWLITMVSA-N

Chemical Structure

2D Structure

CAS: 27826-73-9

CID: 176465

Formula: C6H12O5

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	164.06847348
Monoisotopic Mass	164.06847348
Topological Polar Surface Area	90.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
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
MA06651-01	1,5-Anhydro-D-glucitol
MA16599-01	2,5-Anhydro-3,4-dibenzyl-D-glucitol
MD16701-01	N-Diphenylmethyl 2,5-anhydro-2,5-imino-D-glucitol
MA04203-01	1,4-Anhydro-D-glucitol
MA08695-01	2,5-Anhydro-1-azido-1-deoxy-D-glucitol
FA183347-01	1,5-Anhydro-D-glucitol 6-dihydrogenphosphate disodium
MA04597-01	1,5-Anhydro-4,6-O-benzylidene-D-glucitol
MA04459-01	4-O-Acetyl-2,5-anhydro-1,3-isopropylidene-D-glucitol
NBA11622-01	D-Glucitol-2-D
MA04617-01	1,5-Anhydro-4,6-O-benzylidene-2-O-toluoyl-D-glucitol

Catalog	Name
TSW-00533-01	2,5-Anhydro-D-glucitol
TRC-A648000-100MG	1,5-Anhydro-D-glucitol
MBS6053202-01	2,5-Anhydro-2,5-imino-D-glucitol
292409-01	2,5-Anhydro-D-glucitol-6-phosphate
MBS6050566-01	1,5-Anhydro-D-glucitol (1,5-Anhydro-D-sorbitol)