(2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol

C23H28O11 — CID 162833405

IUPAC(2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@H](O)[C@H]2O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C23H28O11/c1-30-11-5-3-10(4-6-11)20-22(34-23-19(29)18(28)21(33-23)14(26)9-24)17(27)16-13(25)7-12(31-2)8-15(16)32-20/h3-8,14,17-29H,9H2,1-2H3/t14-,17+,18+,19+,20-,21+,22-,23+/m1/s1
InChIKeyWGGAEYDINQCFTH-OSBMRKMASA-N
MW480.47 g/mol
LogP-0.24
Rot. Bonds7

About (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol

(2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol (PubChem CID 162833405) has the molecular formula C23H28O11 and a molecular weight of 480.47 g/mol. Its IUPAC name is (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol.

Molecular Properties

Compound Name(2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol
PubChem CID162833405
Molecular FormulaC23H28O11
Molecular Weight480.47 g/mol
Exact Mass480.16
IUPAC Name(2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@H](O)[C@H]2O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C23H28O11/c1-30-11-5-3-10(4-6-11)20-22(34-23-19(29)18(28)21(33-23)14(26)9-24)17(27)16-13(25)7-12(31-2)8-15(16)32-20/h3-8,14,17-29H,9H2,1-2H3/t14-,17+,18+,19+,20-,21+,22-,23+/m1/s1
InChIKeyWGGAEYDINQCFTH-OSBMRKMASA-N
XLogP-0.24
TPSA167.53 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500480.47
LogP ≤ 5-0.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol with MolForge

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Related Compounds

(2S,3R,4R)-3-[(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
CID 162877169
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
CID 171126723
3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
CID 163046259
(2R,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
CID 69116677
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
2-(1,2-dihydroxyethyl)-6-[2-(1,2-dihydroxyethyl)-3,5,6-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 14236845
3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 163077044
3-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162967574
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162967577
(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91853001
(2S)-7-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162844356

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol?
The IUPAC name of (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol (CID 162833405) is (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol.
What is the SMILES notation for (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol?
The canonical SMILES for (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol is COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@H](O)[C@H]2O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol?
The InChIKey is WGGAEYDINQCFTH-OSBMRKMASA-N. The full InChI is InChI=1S/C23H28O11/c1-30-11-5-3-10(4-6-11)20-22(34-23-19(29)18(28)21(33-23)14(26)9-24)17(27)16-13(25)7-12(31-2)8-15(16)32-20/h3-8,14,17-29H,9H2,1-2H3/t14-,17+,18+,19+,20-,21+,22-,23+/m1/s1.
What are the key properties of (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol?
(2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol has a molecular weight of 480.47 g/mol, XLogP of -0.24, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-[(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,5-diol is sourced from PubChem (CID 162833405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).