(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol

C23H30O10 — CID 10790368

IUPAC(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol
SMILESCOc1cc([C@H](O[C@@H]2CO[C@@H](OC)[C@H](O)[C@H]2O)[C@@H](CO)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C23H30O10/c1-28-15-6-4-5-7-16(15)32-18(11-24)22(13-8-9-14(25)17(10-13)29-2)33-19-12-31-23(30-3)21(27)20(19)26/h4-10,18-27H,11-12H2,1-3H3/t18-,19-,20+,21-,22+,23-/m1/s1
InChIKeyPGVSAGSWXCINLS-IROFBDHCSA-N
MW466.48 g/mol
LogP1.00
Rot. Bonds10

About (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol

(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol (PubChem CID 10790368) has the molecular formula C23H30O10 and a molecular weight of 466.48 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol
PubChem CID10790368
Molecular FormulaC23H30O10
Molecular Weight466.48 g/mol
Exact Mass466.18
IUPAC Name(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol
SMILESCOc1cc([C@H](O[C@@H]2CO[C@@H](OC)[C@H](O)[C@H]2O)[C@@H](CO)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C23H30O10/c1-28-15-6-4-5-7-16(15)32-18(11-24)22(13-8-9-14(25)17(10-13)29-2)33-19-12-31-23(30-3)21(27)20(19)26/h4-10,18-27H,11-12H2,1-3H3/t18-,19-,20+,21-,22+,23-/m1/s1
InChIKeyPGVSAGSWXCINLS-IROFBDHCSA-N
XLogP1.00
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol (CID 10790368) is (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol is COc1cc([C@H](O[C@@H]2CO[C@@H](OC)[C@H](O)[C@H]2O)[C@@H](CO)Oc2ccccc2OC)ccc1O.
What is the InChIKey of (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol?
The InChIKey is PGVSAGSWXCINLS-IROFBDHCSA-N. The full InChI is InChI=1S/C23H30O10/c1-28-15-6-4-5-7-16(15)32-18(11-24)22(13-8-9-14(25)17(10-13)29-2)33-19-12-31-23(30-3)21(27)20(19)26/h4-10,18-27H,11-12H2,1-3H3/t18-,19-,20+,21-,22+,23-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol?
(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol has a molecular weight of 466.48 g/mol, XLogP of 1.00, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 10790368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).