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Dimethyl isosorbide

CAT: 1596-AR-I02941-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I02941-02Size:25 Units
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CAS Number
5306-85-4
Synonyms
(3R,3aR,6S,6aR) -3,6-dimethoxyhexahydrofuro[3,2-b]furan; Dimethyl isosorbide; Isosorbide dimethyl ether; (3R,3aR,6S,6aR) -3,6-Dimethoxyhexahydrofuro[3,2-b]furan; 1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol
Molecular Formula
C8H14O4
Molecular Weight
174.19
API Name
Isosorbide

Chemical Information

Dimethyl Isosorbide
CAS Number5306-85-4
PubChem CID62990
IUPAC Name(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Molecular FormulaC8H14O4
Molecular Weight174.19
XLogP-0.6
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity143
SMILES
CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC
InChI
InChI=1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKey
MEJYDZQQVZJMPP-ULAWRXDQSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl Isosorbide
CAS: 5306-85-4
CID: 62990
Formula: C8H14O4
MW: 174.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP3-0.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass174.08920892
Monoisotopic Mass174.08920892
Topological Polar Surface Area36.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
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

Related Products

CatalogName
AR-I01907-01Isosorbide
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AR-I01906-01Isosorbide Dinitrate EP Impurity B (Isosorbide2-Mononitrate)
AR-I04139-01Isosorbide Impurity 17
AR-I04130-01Isosorbide Impurity 6
AR-I01911-01Isosorbide Impurity 2
AR-I04137-01Isosorbide Impurity 14
AR-I04148-01Isosorbide Impurity 3

Alternative Products

CatalogName
OR62169-01Dimethyl isosorbide
HY-134524-01Isosorbide dimethyl ether
TRC-KIT8290-10X1MLIsosorbide 5-Mononitrate (1.0 mg/mL in Dimethyl Sulfoxide)
561635Isosorbide
B8664-100Isosorbide Dinitrate
HY-W716688Isosorbide-d8
HY-B0642-01Isosorbide mononitrate
HY-B1469R-01Isosorbide (Standard)
229140-01D-Isosorbide

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