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

C7H12O4 — CID 163508504

IUPAC(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESOCC1CO[C@@H]2[C@H](O)CO[C@H]12
InChIInChI=1S/C7H12O4/c8-1-4-2-10-7-5(9)3-11-6(4)7/h4-9H,1-3H2/t4?,5-,6-,7-/m1/s1
InChIKeyDAQKTXKSBKSMER-UVSCYPECSA-N
MW160.17 g/mol
LogP-1.25
Rot. Bonds1

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

(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 163508504) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID163508504
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESOCC1CO[C@@H]2[C@H](O)CO[C@H]12
InChIInChI=1S/C7H12O4/c8-1-4-2-10-7-5(9)3-11-6(4)7/h4-9H,1-3H2/t4?,5-,6-,7-/m1/s1
InChIKeyDAQKTXKSBKSMER-UVSCYPECSA-N
XLogP-1.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 163508504) is (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is OCC1CO[C@@H]2[C@H](O)CO[C@H]12.
What is the InChIKey of (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is DAQKTXKSBKSMER-UVSCYPECSA-N. The full InChI is InChI=1S/C7H12O4/c8-1-4-2-10-7-5(9)3-11-6(4)7/h4-9H,1-3H2/t4?,5-,6-,7-/m1/s1.
What are the key properties of (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 160.17 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 163508504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).