1,3-Dihydroxyacetone Dimer

CAT: 1299-RG-A263592-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A263592-02Size:25 mg

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CAS Number

26776-70-5

Synonyms

2,5-bis (hydroxymethyl) -1,4-dioxane-2,5-diol/1,3-dihydroxypropan-2-one

Molecular Formula

C6H12O6

Molecular Weight

180.16

Product Name Synonym

2,5-bis (hydroxymethyl) -1,4-dioxane-2,5-diol/1,3-dihydroxypropan-2-one

Chemical Information

Dihydroxyacetone dimer

Dihydroxyacetone (dimer) is a member of dioxanes.

CAS Number	26776-70-5
PubChem CID	4180364
IUPAC Name	2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
Molecular Formula	C6H12O6
Molecular Weight	180.16
XLogP	-3.1
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	144

SMILES

C1C(OCC(O1)(CO)O)(CO)O

InChI

InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2

InChIKey

KEQUNHIAUQQPAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26776-70-5

CID: 4180364

Formula: C6H12O6

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	-3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	180.06338810
Monoisotopic Mass	180.06338810
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-E141014-01	Dihydroxyacetone phosphate
RM-C241378-01	Cefixime dimer 3
RM-T181937-01	Terlipressin Dimer 1
RM-C241332-01	Cefixime dimer 1
RM-I193303-01	Icatibant Dimer Impurity 3
RM-C182527-01	Canagliflozin Dimer Impurity 1
RM-D180606-01	Darifenacin Dimer-1 Impurity
RM-B181418-01	Brimonidine Dimer
RM-F223504-01	Flupirtine Dimer
RM-E200378-01	Entacapone Dimer

Catalog	Name
411089-01	1,3-Dihydroxyacetone Dimer
12438-62	Dihydroxyacetone (dimer)
273007	2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol (dihydroxyacetone dimer)
AR-M04976-01	Mizolastine Dimer 3
sc-252323A	9-Borabicyclo[3.3.1]nonane dimer
TRC-R189055-5MG	Retigabine 3,3'-Dimer
sc-488763	Lamotrigine 3,3-Dimer
CS-O-46407	Trazodone-3,3'-Dimer
467977-01	Trazodone-3,3’-Dimer
AR-L01110-01	Lamotrigine 3-3 Dimer