(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol

C24H32O11 — CID 10672883

IUPAC(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCOc1cc([C@H](OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](CO)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C24H32O11/c1-30-15-6-4-5-7-16(15)34-18(11-25)23(13-8-9-14(26)17(10-13)31-2)33-12-19-20(27)21(28)22(29)24(32-3)35-19/h4-10,18-29H,11-12H2,1-3H3/t18-,19+,20-,21-,22+,23-,24-/m0/s1
InChIKeyUMICNYJWYQYHPQ-AUHDUZGSSA-N
MW496.51 g/mol
LogP0.36
Rot. Bonds11

About (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 10672883) has the molecular formula C24H32O11 and a molecular weight of 496.51 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol
PubChem CID10672883
Molecular FormulaC24H32O11
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC Name(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCOc1cc([C@H](OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](CO)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C24H32O11/c1-30-15-6-4-5-7-16(15)34-18(11-25)23(13-8-9-14(26)17(10-13)31-2)33-12-19-20(27)21(28)22(29)24(32-3)35-19/h4-10,18-29H,11-12H2,1-3H3/t18-,19+,20-,21-,22+,23-,24-/m0/s1
InChIKeyUMICNYJWYQYHPQ-AUHDUZGSSA-N
XLogP0.36
TPSA156.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol with MolForge

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Related Compounds

(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
(3R,4S,5R,6R)-5-[(1R,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-6-methoxyoxane-3,4-diol
CID 10790366
(2R,3R,4S,5S,6R)-2-[(1R,2S)-2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162867744
(2R,3R,4S,5S,6R)-2-[(1S,2R)-2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162867745
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol
CID 71407033
(2S,3S,4R,5R,6S)-2-[3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124905257
(2R,3R,4R,5S,6S)-2-[3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162886477
(2R,3R,4S,5S,6R)-2-[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10985417
(2R,3R,4S,5S,6R)-2-[(Z)-3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101352927
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol (CID 10672883) is (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol is COc1cc([C@H](OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](CO)Oc2ccccc2OC)ccc1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is UMICNYJWYQYHPQ-AUHDUZGSSA-N. The full InChI is InChI=1S/C24H32O11/c1-30-15-6-4-5-7-16(15)34-18(11-25)23(13-8-9-14(26)17(10-13)31-2)33-12-19-20(27)21(28)22(29)24(32-3)35-19/h4-10,18-29H,11-12H2,1-3H3/t18-,19+,20-,21-,22+,23-,24-/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 496.51 g/mol, XLogP of 0.36, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 10672883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).