(2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one

C23H24O10 — CID 10072942

IUPAC(2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one
SMILESO=C1C=C(c2ccc(O)cc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C23H24O10/c24-10-19-20(28)21(29)22(30)23(33-19)32-16-8-13(26)5-6-14(16)17-9-15(27)18(31-17)7-11-1-3-12(25)4-2-11/h1-6,8-9,18-26,28-30H,7,10H2/t18-,19+,20+,21-,22+,23+/m1/s1
InChIKeyUVBIDKJGBSKHAV-YOCVKEFZSA-N
MW460.44 g/mol
LogP-0.17
Rot. Bonds6

About (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one

(2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one (PubChem CID 10072942) has the molecular formula C23H24O10 and a molecular weight of 460.44 g/mol. Its IUPAC name is (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one.

Molecular Properties

Compound Name(2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one
PubChem CID10072942
Molecular FormulaC23H24O10
Molecular Weight460.44 g/mol
Exact Mass460.14
IUPAC Name(2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one
SMILESO=C1C=C(c2ccc(O)cc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C23H24O10/c24-10-19-20(28)21(29)22(30)23(33-19)32-16-8-13(26)5-6-14(16)17-9-15(27)18(31-17)7-11-1-3-12(25)4-2-11/h1-6,8-9,18-26,28-30H,7,10H2/t18-,19+,20+,21-,22+,23+/m1/s1
InChIKeyUVBIDKJGBSKHAV-YOCVKEFZSA-N
XLogP-0.17
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one?
The IUPAC name of (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one (CID 10072942) is (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one.
What is the SMILES notation for (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one?
The canonical SMILES for (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one is O=C1C=C(c2ccc(O)cc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one?
The InChIKey is UVBIDKJGBSKHAV-YOCVKEFZSA-N. The full InChI is InChI=1S/C23H24O10/c24-10-19-20(28)21(29)22(30)23(33-19)32-16-8-13(26)5-6-14(16)17-9-15(27)18(31-17)7-11-1-3-12(25)4-2-11/h1-6,8-9,18-26,28-30H,7,10H2/t18-,19+,20+,21-,22+,23+/m1/s1.
What are the key properties of (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one?
(2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one has a molecular weight of 460.44 g/mol, XLogP of -0.17, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one is sourced from PubChem (CID 10072942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).