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1,2:5,6-Dianhydrogalactitol

CAT: 0926-MD44862-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-MD44862-01Size:1 g
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CAS Number
23261-20-3
Synonyms
Dianhydrodulcitol; Dulcitol diepoxide
MDL Number
MFCD01725532
Smiles
C1[C@@H] (O1) [C@@H] ([C@@H] ([C@@H]2CO2) O) O
Molecular Formula
C6H10O4
Molecular Weight
146.14 g/mol
Controlled
No

Chemical Information

Dianhydrogalactitol

Dianhydrogalactitol has been used in trials studying the treatment of GBM, Glioma, Glioblastoma, Brain Cancer, and Glioblastoma Multiforme.

CAS Number23261-20-3
PubChem CID15942827
IUPAC Name(1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP-1.3
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O
InChI
InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-
InChIKey
AAFJXZWCNVJTMK-GUCUJZIJSA-N
Chemical Structure
2D Structure
2D structure of Dianhydrogalactitol
CAS: 23261-20-3
CID: 15942827
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area65.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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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