8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol

C13H16O5 — CID 75368714

IUPAC8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol
SMILESCc1c(O)cc2c(c1O)COC1(O)CCCOC21
InChIInChI=1S/C13H16O5/c1-7-10(14)5-8-9(11(7)15)6-18-13(16)3-2-4-17-12(8)13/h5,12,14-16H,2-4,6H2,1H3
InChIKeyIVGBZDPNMAOBQK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.48
Rot. Bonds

About 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol

8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol (PubChem CID 75368714) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol.

Molecular Properties

Compound Name8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol
PubChem CID75368714
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol
SMILESCc1c(O)cc2c(c1O)COC1(O)CCCOC21
InChIInChI=1S/C13H16O5/c1-7-10(14)5-8-9(11(7)15)6-18-13(16)3-2-4-17-12(8)13/h5,12,14-16H,2-4,6H2,1H3
InChIKeyIVGBZDPNMAOBQK-UHFFFAOYSA-N
XLogP1.48
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol?
The IUPAC name of 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol (CID 75368714) is 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol.
What is the SMILES notation for 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol?
The canonical SMILES for 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol is Cc1c(O)cc2c(c1O)COC1(O)CCCOC21.
What is the InChIKey of 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol?
The InChIKey is IVGBZDPNMAOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-7-10(14)5-8-9(11(7)15)6-18-13(16)3-2-4-17-12(8)13/h5,12,14-16H,2-4,6H2,1H3.
What are the key properties of 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol?
8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol has a molecular weight of 252.27 g/mol, XLogP of 1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,6,10b-tetrahydro-2H-pyrano[3,2-c]isochromene-4a,7,9-triol is sourced from PubChem (CID 75368714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).