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

C11H14O5 — CID 53493987

IUPAC(5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1[C@H](O)O[C@@H](C)[C@H]2C
InChIInChI=1S/C11H14O5/c1-5-6(2)15-11(13)9-7(14-3)4-8(12)16-10(5)9/h4-6,11,13H,1-3H3/t5-,6+,11-/m1/s1
InChIKeyZYSOIVWPFGMXCV-LJNABYEQSA-N
MW226.23 g/mol
LogP1.16
Rot. Bonds1

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

(5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (PubChem CID 53493987) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name(5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
PubChem CID53493987
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1[C@H](O)O[C@@H](C)[C@H]2C
InChIInChI=1S/C11H14O5/c1-5-6(2)15-11(13)9-7(14-3)4-8(12)16-10(5)9/h4-6,11,13H,1-3H3/t5-,6+,11-/m1/s1
InChIKeyZYSOIVWPFGMXCV-LJNABYEQSA-N
XLogP1.16
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The IUPAC name of (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (CID 53493987) is (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.
What is the SMILES notation for (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The canonical SMILES for (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is COc1cc(=O)oc2c1[C@H](O)O[C@@H](C)[C@H]2C.
What is the InChIKey of (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The InChIKey is ZYSOIVWPFGMXCV-LJNABYEQSA-N. The full InChI is InChI=1S/C11H14O5/c1-5-6(2)15-11(13)9-7(14-3)4-8(12)16-10(5)9/h4-6,11,13H,1-3H3/t5-,6+,11-/m1/s1.
What are the key properties of (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
(5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8R)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 53493987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).