(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C7H12O4 — CID 163517831

IUPAC(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCO[C@H]1COC2[C@@H](O)CO[C@@H]21
InChIInChI=1S/C7H12O4/c1-9-5-3-11-6-4(8)2-10-7(5)6/h4-8H,2-3H2,1H3/t4-,5-,6?,7+/m0/s1
InChIKeyDIGYDJCOICLEJE-WJCGWMGPSA-N
MW160.17 g/mol
LogP-0.84
Rot. Bonds1

About (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 163517831) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID163517831
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCO[C@H]1COC2[C@@H](O)CO[C@@H]21
InChIInChI=1S/C7H12O4/c1-9-5-3-11-6-4(8)2-10-7(5)6/h4-8H,2-3H2,1H3/t4-,5-,6?,7+/m0/s1
InChIKeyDIGYDJCOICLEJE-WJCGWMGPSA-N
XLogP-0.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 163517831) is (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is CO[C@H]1COC2[C@@H](O)CO[C@@H]21.
What is the InChIKey of (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is DIGYDJCOICLEJE-WJCGWMGPSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-5-3-11-6-4(8)2-10-7(5)6/h4-8H,2-3H2,1H3/t4-,5-,6?,7+/m0/s1.
What are the key properties of (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 160.17 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 163517831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).