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1,5-Anhydro-D-mannitol

CAT: 0572-TRC-A648980-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A648980-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
492-93-3
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C6 H12 O5
Molecular Weight
164.16
InChI
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
Additionnal Information
IUPAC name: (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,5-anhydro-D-mannitol

1,5-anhydro-D-mannitol is an anhydro sugar. It is functionally related to a D-mannitol.

CAS Number492-93-3
PubChem CID445184
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC6H12O5
Molecular Weight164.16
XLogP-2.1
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity128
SMILES
C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey
MPCAJMNYNOGXPB-KVTDHHQDSA-N
Chemical Structure
2D Structure
2D structure of 1,5-anhydro-D-mannitol
CAS: 492-93-3
CID: 445184
Formula: C6H12O5
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP3-2.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass164.06847348
Monoisotopic Mass164.06847348
Topological Polar Surface Area90.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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