(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one

C7H8O4 — CID 14841096

IUPAC(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one
SMILESO=C1C[C@@H]2[C@@H](OC=C[C@H]2O)O1
InChIInChI=1S/C7H8O4/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-2,4-5,7-8H,3H2/t4-,5+,7-/m0/s1
InChIKeyRJIMODGWTUNSPV-BFHQHQDPSA-N
MW156.14 g/mol
LogP-0.22
Rot. Bonds

About (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one

(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one (PubChem CID 14841096) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one.

Molecular Properties

Compound Name(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one
PubChem CID14841096
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one
SMILESO=C1C[C@@H]2[C@@H](OC=C[C@H]2O)O1
InChIInChI=1S/C7H8O4/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-2,4-5,7-8H,3H2/t4-,5+,7-/m0/s1
InChIKeyRJIMODGWTUNSPV-BFHQHQDPSA-N
XLogP-0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one?
The IUPAC name of (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one (CID 14841096) is (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one.
What is the SMILES notation for (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one?
The canonical SMILES for (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one is O=C1C[C@@H]2[C@@H](OC=C[C@H]2O)O1.
What is the InChIKey of (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one?
The InChIKey is RJIMODGWTUNSPV-BFHQHQDPSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-2,4-5,7-8H,3H2/t4-,5+,7-/m0/s1.
What are the key properties of (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one?
(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one has a molecular weight of 156.14 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one is sourced from PubChem (CID 14841096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).