(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione

C18H22O7 — CID 59743074

IUPAC(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
SMILESC[C@@H]1CC(O)C(O)CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O7/c1-10-6-15(22)14(21)5-3-2-4-12(19)7-11-8-13(20)9-16(23)17(11)18(24)25-10/h2,4,8-10,14-15,20-23H,3,5-7H2,1H3/b4-2+/t10-,14?,15?/m1/s1
InChIKeyPZXNDSUWOROXEX-ARGDLDOYSA-N
MW350.37 g/mol
LogP1.22
Rot. Bonds

About (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione

(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione (PubChem CID 59743074) has the molecular formula C18H22O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione.

Molecular Properties

Compound Name(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
PubChem CID59743074
Molecular FormulaC18H22O7
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
SMILESC[C@@H]1CC(O)C(O)CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O7/c1-10-6-15(22)14(21)5-3-2-4-12(19)7-11-8-13(20)9-16(23)17(11)18(24)25-10/h2,4,8-10,14-15,20-23H,3,5-7H2,1H3/b4-2+/t10-,14?,15?/m1/s1
InChIKeyPZXNDSUWOROXEX-ARGDLDOYSA-N
XLogP1.22
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
The IUPAC name of (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione (CID 59743074) is (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione.
What is the SMILES notation for (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
The canonical SMILES for (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione is C[C@@H]1CC(O)C(O)CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1.
What is the InChIKey of (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
The InChIKey is PZXNDSUWOROXEX-ARGDLDOYSA-N. The full InChI is InChI=1S/C18H22O7/c1-10-6-15(22)14(21)5-3-2-4-12(19)7-11-8-13(20)9-16(23)17(11)18(24)25-10/h2,4,8-10,14-15,20-23H,3,5-7H2,1H3/b4-2+/t10-,14?,15?/m1/s1.
What are the key properties of (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione has a molecular weight of 350.37 g/mol, XLogP of 1.22, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione is sourced from PubChem (CID 59743074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).