(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol

C7H12O4 — CID 130240888

IUPAC(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
SMILESCO[C@@H]1OC2OCCC2[C@H]1O
InChIInChI=1S/C7H12O4/c1-9-7-5(8)4-2-3-10-6(4)11-7/h4-8H,2-3H2,1H3/t4?,5-,6?,7-/m1/s1
InChIKeyDWRXQZQOYCPDEF-DHJFATIGSA-N
MW160.17 g/mol
LogP-0.29
Rot. Bonds1

About (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol

(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol (PubChem CID 130240888) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol.

Molecular Properties

Compound Name(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
PubChem CID130240888
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
SMILESCO[C@@H]1OC2OCCC2[C@H]1O
InChIInChI=1S/C7H12O4/c1-9-7-5(8)4-2-3-10-6(4)11-7/h4-8H,2-3H2,1H3/t4?,5-,6?,7-/m1/s1
InChIKeyDWRXQZQOYCPDEF-DHJFATIGSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol?
The IUPAC name of (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol (CID 130240888) is (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol.
What is the SMILES notation for (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol?
The canonical SMILES for (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol is CO[C@@H]1OC2OCCC2[C@H]1O.
What is the InChIKey of (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol?
The InChIKey is DWRXQZQOYCPDEF-DHJFATIGSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-7-5(8)4-2-3-10-6(4)11-7/h4-8H,2-3H2,1H3/t4?,5-,6?,7-/m1/s1.
What are the key properties of (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol?
(4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol has a molecular weight of 160.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol is sourced from PubChem (CID 130240888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).