7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one

C21H20O7 — CID 130323980

IUPAC7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2c([C@H]3C[C@@H](O)C[C@@H](CO)O3)c(O)ccc12
InChIInChI=1S/C21H20O7/c22-9-14-7-13(24)8-18(28-14)19-17(25)6-5-15-20(26)16(10-27-21(15)19)11-1-3-12(23)4-2-11/h1-6,10,13-14,18,22-25H,7-9H2/t13-,14-,18+/m0/s1
InChIKeyPQVTZJLWSQKZCP-SUNYJGFJSA-N
MW384.38 g/mol
LogP2.44
Rot. Bonds3

About 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one

7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 130323980) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID130323980
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Name7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2c([C@H]3C[C@@H](O)C[C@@H](CO)O3)c(O)ccc12
InChIInChI=1S/C21H20O7/c22-9-14-7-13(24)8-18(28-14)19-17(25)6-5-15-20(26)16(10-27-21(15)19)11-1-3-12(23)4-2-11/h1-6,10,13-14,18,22-25H,7-9H2/t13-,14-,18+/m0/s1
InChIKeyPQVTZJLWSQKZCP-SUNYJGFJSA-N
XLogP2.44
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one (CID 130323980) is 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one is O=c1c(-c2ccc(O)cc2)coc2c([C@H]3C[C@@H](O)C[C@@H](CO)O3)c(O)ccc12.
What is the InChIKey of 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is PQVTZJLWSQKZCP-SUNYJGFJSA-N. The full InChI is InChI=1S/C21H20O7/c22-9-14-7-13(24)8-18(28-14)19-17(25)6-5-15-20(26)16(10-27-21(15)19)11-1-3-12(23)4-2-11/h1-6,10,13-14,18,22-25H,7-9H2/t13-,14-,18+/m0/s1.
What are the key properties of 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one?
7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 384.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 130323980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).