(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one

C7H6O4 — CID 10606969

IUPAC(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one
SMILESO=C1C=C2[C@H](OC=C[C@@H]2O)O1
InChIInChI=1S/C7H6O4/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-3,5,7-8H/t5-,7+/m0/s1
InChIKeyIONMZUYDQDQPGO-CAHLUQPWSA-N
MW154.12 g/mol
LogP-0.30
Rot. Bonds

About (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one

(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one (PubChem CID 10606969) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one.

Molecular Properties

Compound Name(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one
PubChem CID10606969
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one
SMILESO=C1C=C2[C@H](OC=C[C@@H]2O)O1
InChIInChI=1S/C7H6O4/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-3,5,7-8H/t5-,7+/m0/s1
InChIKeyIONMZUYDQDQPGO-CAHLUQPWSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one?
The IUPAC name of (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one (CID 10606969) is (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one.
What is the SMILES notation for (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one?
The canonical SMILES for (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one is O=C1C=C2[C@H](OC=C[C@@H]2O)O1.
What is the InChIKey of (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one?
The InChIKey is IONMZUYDQDQPGO-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H6O4/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-3,5,7-8H/t5-,7+/m0/s1.
What are the key properties of (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one?
(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one has a molecular weight of 154.12 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7aR)-4-hydroxy-4,7a-dihydrofuro[2,3-b]pyran-2-one is sourced from PubChem (CID 10606969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).