2,5-Anhydro-D-mannitol

CAT: 0024-sc-220807Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-220807Size:100 mg

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CAS Number

41107-82-8

Chemical Information

2,5-anhydro-D-mannitol

RN given refers to cpd with specified locants

CAS Number	41107-82-8
PubChem CID	73544
IUPAC Name	(2R,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-KVTDHHQDSA-N

Chemical Structure

2D Structure

CAS: 41107-82-8

CID: 73544

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
sc-220557	1,5-Anhydro-D-mannitol
sc-220803C	2,5-Anhydro-2,5-imino-D-mannitol
sc-220803A	2,5-Anhydro-2,5-imino-D-mannitol
sc-220803D	2,5-Anhydro-2,5-imino-D-mannitol
sc-220803B	2,5-Anhydro-2,5-imino-D-mannitol
sc-220803	2,5-Anhydro-2,5-imino-D-mannitol
sc-206250	1,4-Anhydro-D-mannitol
sc-220459	1-Amino-2,5-anhydro-1-deoxy-D-mannitol
sc-475152	2,3,4,6-Tetra-O-acetyl-1,5-anhydro-D-mannitol
sc-220804	2,5-Anhydro-D-glucitol

Catalog	Name
TRC-A649000-100MG	2,5-Anhydro-D-mannitol
HY-W039315-01	2,5-Anhydro-D-mannitol, 97%
MA16601-01	2,5-Anhydro-D-mannitol tetraacetate
HY-N9911-01	1,5-Anhydro-D-mannitol