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

C24H26O10 — CID 163185080

IUPAC(2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one
SMILESCOc1ccc(C2=CC(=O)O[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c(O)c1
InChIInChI=1S/C24H26O10/c1-31-14-6-7-15(17(26)9-14)16-10-20(27)33-18(16)8-12-2-4-13(5-3-12)32-24-23(30)22(29)21(28)19(11-25)34-24/h2-7,9-10,18-19,21-26,28-30H,8,11H2,1H3/t18-,19-,21-,22+,23-,24-/m1/s1
InChIKeyAJFUUDMHTIZIKT-MAIAYQQESA-N
MW474.46 g/mol
LogP0.13
Rot. Bonds7

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

(2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one (PubChem CID 163185080) has the molecular formula C24H26O10 and a molecular weight of 474.46 g/mol. Its IUPAC name is (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one
PubChem CID163185080
Molecular FormulaC24H26O10
Molecular Weight474.46 g/mol
Exact Mass474.15
IUPAC Name(2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one
SMILESCOc1ccc(C2=CC(=O)O[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c(O)c1
InChIInChI=1S/C24H26O10/c1-31-14-6-7-15(17(26)9-14)16-10-20(27)33-18(16)8-12-2-4-13(5-3-12)32-24-23(30)22(29)21(28)19(11-25)34-24/h2-7,9-10,18-19,21-26,28-30H,8,11H2,1H3/t18-,19-,21-,22+,23-,24-/m1/s1
InChIKeyAJFUUDMHTIZIKT-MAIAYQQESA-N
XLogP0.13
TPSA155.14 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(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
5-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163007241
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;methanol
CID 90002408
3-(4-hydroxyphenyl)-1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
CID 162999931
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-(4-propylphenoxy)oxane-3,4,5-triol
CID 124914124
5-hydroxy-3,7-dimethoxy-2-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163032488
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
1-[2,6-dihydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 68519297
5-hydroxy-7-methoxy-2-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 69244238

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one?
The IUPAC name of (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one (CID 163185080) is (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one?
The canonical SMILES for (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one is COc1ccc(C2=CC(=O)O[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c(O)c1.
What is the InChIKey of (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one?
The InChIKey is AJFUUDMHTIZIKT-MAIAYQQESA-N. The full InChI is InChI=1S/C24H26O10/c1-31-14-6-7-15(17(26)9-14)16-10-20(27)33-18(16)8-12-2-4-13(5-3-12)32-24-23(30)22(29)21(28)19(11-25)34-24/h2-7,9-10,18-19,21-26,28-30H,8,11H2,1H3/t18-,19-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one?
(2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one has a molecular weight of 474.46 g/mol, XLogP of 0.13, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-hydroxy-4-methoxyphenyl)-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2H-furan-5-one is sourced from PubChem (CID 163185080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).