D-Iditol

CAT: 0024-sc-285366Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-285366Size:25 mg

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CAS Number

25878-23-3

Chemical Information

D-Iditol

D-iditol is the D-enantiomer of iditol. It has a role as a fungal metabolite. It is an enantiomer of a L-iditol.

CAS Number	25878-23-3
PubChem CID	90540
IUPAC Name	(2R,3S,4S,5R)-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+/m1/s1

InChIKey

FBPFZTCFMRRESA-ZXXMMSQZSA-N

Chemical Structure

2D Structure

CAS: 25878-23-3

CID: 90540

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
sc-221808	L-Iditol
sc-280884	L-Iditol Hexaacetate
sc-282075	1-Deoxy-1-nitro-L-iditol hemihydrate
sc-282075A	1-Deoxy-1-nitro-L-iditol hemihydrate
sc-214005	2,4:3,5-Di-O-methylene-L-iditol
sc-214003	2,4:3,5-Di-O-benzylidene-L-iditol
sc-212122	N-Benzyl-2,3,4,6-tetra-O-benzyl-1,5-dideoxy-imino-L-iditol
sc-213520	1,3:4,6-Di-O-benzylidene-2,5-dideoxy-2,5-imino-L-iditol
sc-271938	Jun D (D-9)
sc-489539	D-Galactose-5-d

Catalog	Name
MI07130-01	D-Iditol
HY-W145584S-01	D-Iditol-13C
163480	D-Iditol-1-13C
T20399	Iditol
TRC-I175000-50MG	L-Iditol
292959-01	1-Deoxy-1-nitro-D-iditol hemihydrate
AR-I04131-01	Isosorbide Impurity 7 (2,5-anhydro-D-iditol)
453328-01	L-Iditol-d8
TRC-I175030-2G	L-Iditol Hexaacetate