[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate

C7H10O5 — CID 88891348

IUPAC[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate
SMILESO=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C7H10O5/c8-3-12-5-2-11-6-4(9)1-10-7(5)6/h3-7,9H,1-2H2/t4-,5-,6-,7-/m1/s1
InChIKeyIFICTIQYVFJUPC-DBRKOABJSA-N
MW174.15 g/mol
LogP-1.31
Rot. Bonds2

About [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate

[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate (PubChem CID 88891348) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate.

Molecular Properties

Compound Name[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate
PubChem CID88891348
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate
SMILESO=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C7H10O5/c8-3-12-5-2-11-6-4(9)1-10-7(5)6/h3-7,9H,1-2H2/t4-,5-,6-,7-/m1/s1
InChIKeyIFICTIQYVFJUPC-DBRKOABJSA-N
XLogP-1.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate?
The IUPAC name of [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate (CID 88891348) is [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate.
What is the SMILES notation for [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate?
The canonical SMILES for [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate is O=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate?
The InChIKey is IFICTIQYVFJUPC-DBRKOABJSA-N. The full InChI is InChI=1S/C7H10O5/c8-3-12-5-2-11-6-4(9)1-10-7(5)6/h3-7,9H,1-2H2/t4-,5-,6-,7-/m1/s1.
What are the key properties of [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate?
[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate has a molecular weight of 174.15 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate is sourced from PubChem (CID 88891348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).