(2R,4R)-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 98550943

IUPAC(2R,4R)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)[C@H](C)C[C@H](c1c(O)cc(C)oc1=O)O2
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-/m1/s1
InChIKeyHYZREXXZIIBUGU-RDDDGLTNSA-N
MW304.30 g/mol
LogP2.54
Rot. Bonds1

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

(2R,4R)-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 98550943) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2R,4R)-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(2R,4R)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID98550943
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(2R,4R)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)[C@H](C)C[C@H](c1c(O)cc(C)oc1=O)O2
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-/m1/s1
InChIKeyHYZREXXZIIBUGU-RDDDGLTNSA-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 (2R,4R)-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

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Launch Full Analysis

Related Compounds

(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
(2S,3R,4R)-3,4-dihydroxy-7-methyl-2-phenyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 101151989
6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one
CID 101041223
4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
CID 135399133
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 102299943
4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 102564540
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 99998666
4-hydroxy-3-[(Z)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-C-methylcarbonimidoyl]-6-methylpyran-2-one
CID 136756908
N-[2-[(5aS,7S)-3-methyl-1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-7-yl]propyl]-2-hydroxybenzamide
CID 71458855
3-(2-cyclopentylacetyl)-4-hydroxy-6-methylpyran-2-one
CID 54709900
methyl 3-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 91973030
(5aS,7S)-7-[1-[(2-hydroxyphenyl)methylamino]propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 71449844

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-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 (2R,4R)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 98550943) is (2R,4R)-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 (2R,4R)-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 (2R,4R)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is Cc1cc2c(c(=O)o1)[C@H](C)C[C@H](c1c(O)cc(C)oc1=O)O2.
What is the InChIKey of (2R,4R)-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-RDDDGLTNSA-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-/m1/s1.
What are the key properties of (2R,4R)-2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
(2R,4R)-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 (2R,4R)-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 98550943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).