1,4-Anhydro-D-mannitol

CAT: 0862-GC3216-100mgSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0862-GC3216-100mgSize:100 mg

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CAS Number

7726-97-8

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Chemical Information

1,4-Anhydro-D-mannitol

CAS Number	7726-97-8
PubChem CID	10909888
IUPAC Name	(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
Molecular Formula	C6H12O5
Molecular Weight	164.16
XLogP	-2.1
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	128

SMILES

C1[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O

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

InChIKey

JNYAEWCLZODPBN-KVTDHHQDSA-N

Chemical Structure

2D Structure

CAS: 7726-97-8

CID: 10909888

Formula: C6H12O5

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	-2.1
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	128
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
002730-01	1,4-Anhydro-D-Mannitol
HY-N9911-01	1,5-Anhydro-D-mannitol
GTR19247023-01	1,5-Anhydro-D-mannitol peracetate
292513-01	1,4-Anhydro-D-mannitol discontinued. See 002730
TRC-A649000-100MG	2,5-Anhydro-D-mannitol