7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C22H23NO11 — CID 15378351

IUPAC7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C22H23NO11/c1-31-12-4-8(2-3-10(12)25)21-20(30)18(28)15-11(26)5-9(6-13(15)33-21)32-22-16(23)19(29)17(27)14(7-24)34-22/h2-6,14,16-17,19,22,24-27,29-30H,7,23H2,1H3/t14-,16-,17-,19-,22+/m1/s1
InChIKeyPDOICZRLIROUNN-AOMQBQPUSA-N
MW477.42 g/mol
LogP-0.27
Rot. Bonds5

About 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (PubChem CID 15378351) has the molecular formula C22H23NO11 and a molecular weight of 477.42 g/mol. Its IUPAC name is 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID15378351
Molecular FormulaC22H23NO11
Molecular Weight477.42 g/mol
Exact Mass477.13
IUPAC Name7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C22H23NO11/c1-31-12-4-8(2-3-10(12)25)21-20(30)18(28)15-11(26)5-9(6-13(15)33-21)32-22-16(23)19(29)17(27)14(7-24)34-22/h2-6,14,16-17,19,22,24-27,29-30H,7,23H2,1H3/t14-,16-,17-,19-,22+/m1/s1
InChIKeyPDOICZRLIROUNN-AOMQBQPUSA-N
XLogP-0.27
TPSA205.30 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500477.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (CID 15378351) is 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is COc1cc(-c2oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)cc(O)c3c(=O)c2O)ccc1O.
What is the InChIKey of 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The InChIKey is PDOICZRLIROUNN-AOMQBQPUSA-N. The full InChI is InChI=1S/C22H23NO11/c1-31-12-4-8(2-3-10(12)25)21-20(30)18(28)15-11(26)5-9(6-13(15)33-21)32-22-16(23)19(29)17(27)14(7-24)34-22/h2-6,14,16-17,19,22,24-27,29-30H,7,23H2,1H3/t14-,16-,17-,19-,22+/m1/s1.
What are the key properties of 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one has a molecular weight of 477.42 g/mol, XLogP of -0.27, 5 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 15378351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).