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2D Structure
Also known as: 866594-60-7, (3as,4s,6ar)-tetrahydro-4-methoxyfuro[3,4-b]furan-2(3h)-one, Furo[3,4-b]furan-2(3h)-one, tetrahydro-4-methoxy-, (3as,4s,6ar)-, (3as,4s,6ar)-4-methoxy-3a,4,6,6a-tetrahydro-3h-furo[2,3-c]furan-2-one, Mfcd10698799, Schembl1301482
Molecular Formula
C7H10O4
Molecular Weight
158.15  g/mol
InChI Key
LQEIOPTZKCKTPQ-VPLCAKHXSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3aS,4S,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
2.1.2 InChI
InChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3/t4-,5-,7-/m0/s1
2.1.3 InChI Key
LQEIOPTZKCKTPQ-VPLCAKHXSA-N
2.1.4 Canonical SMILES
COC1C2CC(=O)OC2CO1
2.1.5 Isomeric SMILES
CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 866594-60-7

2. (3as,4s,6ar)-tetrahydro-4-methoxyfuro[3,4-b]furan-2(3h)-one

3. Furo[3,4-b]furan-2(3h)-one, Tetrahydro-4-methoxy-, (3as,4s,6ar)-

4. (3as,4s,6ar)-4-methoxy-3a,4,6,6a-tetrahydro-3h-furo[2,3-c]furan-2-one

5. Mfcd10698799

6. Schembl1301482

7. (3as,4s,6ar)-4-methoxy-tetrahydro-furo[3.4-b]furan-2(3h)-one

8. Amy39011

9. Ex-a3286

10. Zinc21300477

11. Akos006305108

12. Ds-5697

13. Ac-27023

14. Cs-0150981

15. D82569

16. A863095

17. (1beta,5beta)-6beta-methoxy-2,7-dioxabicyclo[3.3.0]octane-3-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 158.15 g/mol
Molecular Formula C7H10O4
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass158.05790880 g/mol
Monoisotopic Mass158.05790880 g/mol
Topological Polar Surface Area44.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1