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L-Isoidide

CAT: 1596-AR-I04156-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I04156-01Size:10 Units
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CAS Number
24332-71-6
Synonyms
(3S,3aR,6S,6aR) -hexahydrofuro[3,2-b]furan-3,6-diol
Molecular Formula
C6H10O4
Molecular Weight
146.14
API Name
Isosorbide

Chemical Information

(3S,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol
CAS Number24332-71-6
PubChem CID12304539
IUPAC Name(3S,3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP-1.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O
InChI
InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKey
KLDXJTOLSGUMSJ-UNTFVMJOSA-N
Chemical Structure
2D Structure
2D structure of (3S,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol
CAS: 24332-71-6
CID: 12304539
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area58.9 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