(2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

C16H16O6 — CID 98550941

IUPAC(2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc(O)c([C@@H]2C[C@H](C)c3c(cc(C)oc3=O)O2)c(=O)o1
InChIInChI=1S/C16H16O6/c1-7-4-11(14-10(17)5-8(2)20-16(14)19)22-12-6-9(3)21-15(18)13(7)12/h5-7,11,17H,4H2,1-3H3/t7-,11-/m0/s1
InChIKeyHYZREXXZIIBUGU-CPCISQLKSA-N
MW304.30 g/mol
LogP2.54
Rot. Bonds1

About (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

(2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 98550941) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name(2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID98550941
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc(O)c([C@@H]2C[C@H](C)c3c(cc(C)oc3=O)O2)c(=O)o1
InChIInChI=1S/C16H16O6/c1-7-4-11(14-10(17)5-8(2)20-16(14)19)22-12-6-9(3)21-15(18)13(7)12/h5-7,11,17H,4H2,1-3H3/t7-,11-/m0/s1
InChIKeyHYZREXXZIIBUGU-CPCISQLKSA-N
XLogP2.54
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 98550941) is (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is Cc1cc(O)c([C@@H]2C[C@H](C)c3c(cc(C)oc3=O)O2)c(=O)o1.
What is the InChIKey of (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is HYZREXXZIIBUGU-CPCISQLKSA-N. The full InChI is InChI=1S/C16H16O6/c1-7-4-11(14-10(17)5-8(2)20-16(14)19)22-12-6-9(3)21-15(18)13(7)12/h5-7,11,17H,4H2,1-3H3/t7-,11-/m0/s1.
What are the key properties of (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
(2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 304.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 98550941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).