7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one

C24H22O9 — CID 162980606

IUPAC7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
SMILESO=C1OCc2cc(O)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(-c4ccccc4)ccc1c23
InChIInChI=1S/C24H22O9/c25-9-16-19(27)20(28)21(29)24(32-16)33-22-15(26)8-12-10-31-23(30)14-7-6-13(18(22)17(12)14)11-4-2-1-3-5-11/h1-8,16,19-21,24-29H,9-10H2/t16-,19-,20+,21-,24+/m0/s1
InChIKeyPGDMYGHCJPKBBF-RRJPFGDRSA-N
MW454.43 g/mol
LogP1.06
Rot. Bonds4

About 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one

7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one (PubChem CID 162980606) has the molecular formula C24H22O9 and a molecular weight of 454.43 g/mol. Its IUPAC name is 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one.

Molecular Properties

Compound Name7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
PubChem CID162980606
Molecular FormulaC24H22O9
Molecular Weight454.43 g/mol
Exact Mass454.13
IUPAC Name7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
SMILESO=C1OCc2cc(O)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(-c4ccccc4)ccc1c23
InChIInChI=1S/C24H22O9/c25-9-16-19(27)20(28)21(29)24(32-16)33-22-15(26)8-12-10-31-23(30)14-7-6-13(18(22)17(12)14)11-4-2-1-3-5-11/h1-8,16,19-21,24-29H,9-10H2/t16-,19-,20+,21-,24+/m0/s1
InChIKeyPGDMYGHCJPKBBF-RRJPFGDRSA-N
XLogP1.06
TPSA145.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one with MolForge

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Related Compounds

5-hydroxy-2-phenyl-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 68734984
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 5321896
[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate
CID 11103619
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-2-benzofuran-1-one
CID 73352637
5,7-dihydroxy-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 5488496
5,7-dihydroxy-2-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 74977986
5,6-dihydroxy-2-phenyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 101243894
6-hydroxy-3-phenyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 87280465
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 54291494
5,6,7,8-tetrahydroxy-2-phenyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 123208131
2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 20769154
7-hydroxy-8-methoxy-2-phenyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 177417287

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one?
The IUPAC name of 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one (CID 162980606) is 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one.
What is the SMILES notation for 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one?
The canonical SMILES for 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one is O=C1OCc2cc(O)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(-c4ccccc4)ccc1c23.
What is the InChIKey of 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one?
The InChIKey is PGDMYGHCJPKBBF-RRJPFGDRSA-N. The full InChI is InChI=1S/C24H22O9/c25-9-16-19(27)20(28)21(29)24(32-16)33-22-15(26)8-12-10-31-23(30)14-7-6-13(18(22)17(12)14)11-4-2-1-3-5-11/h1-8,16,19-21,24-29H,9-10H2/t16-,19-,20+,21-,24+/m0/s1.
What are the key properties of 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one?
7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one has a molecular weight of 454.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-10-phenyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one is sourced from PubChem (CID 162980606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).