(7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

C12H16O5 — CID 134150054

IUPAC(7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCCC[C@H]1OCc2c(OC)cc(=O)oc2[C@H]1O
InChIInChI=1S/C12H16O5/c1-3-4-8-11(14)12-7(6-16-8)9(15-2)5-10(13)17-12/h5,8,11,14H,3-4,6H2,1-2H3/t8-,11+/m1/s1
InChIKeyVWYYNACOORUTNR-KCJUWKMLSA-N
MW240.25 g/mol
LogP1.38
Rot. Bonds3

About (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

(7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (PubChem CID 134150054) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name(7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
PubChem CID134150054
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCCC[C@H]1OCc2c(OC)cc(=O)oc2[C@H]1O
InChIInChI=1S/C12H16O5/c1-3-4-8-11(14)12-7(6-16-8)9(15-2)5-10(13)17-12/h5,8,11,14H,3-4,6H2,1-2H3/t8-,11+/m1/s1
InChIKeyVWYYNACOORUTNR-KCJUWKMLSA-N
XLogP1.38
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The IUPAC name of (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (CID 134150054) is (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.
What is the SMILES notation for (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The canonical SMILES for (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is CCC[C@H]1OCc2c(OC)cc(=O)oc2[C@H]1O.
What is the InChIKey of (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The InChIKey is VWYYNACOORUTNR-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-4-8-11(14)12-7(6-16-8)9(15-2)5-10(13)17-12/h5,8,11,14H,3-4,6H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
(7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 134150054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).