(2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol

C25H32O10 — CID 102529867

IUPAC(2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol
SMILESCOc1cc(C[C@@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C25H32O10/c1-32-20-10-15(5-6-18(20)28)8-16(12-27)17-9-14(4-3-7-26)11-21(33-2)24(17)35-25-23(31)22(30)19(29)13-34-25/h3-6,9-11,16,19,22-23,25-31H,7-8,12-13H2,1-2H3/b4-3+/t16-,19+,22-,23+,25-/m0/s1
InChIKeyAKLXCEXECAYESR-DWLBACSESA-N
MW492.52 g/mol
LogP0.55
Rot. Bonds10

About (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol

(2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol (PubChem CID 102529867) has the molecular formula C25H32O10 and a molecular weight of 492.52 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol
PubChem CID102529867
Molecular FormulaC25H32O10
Molecular Weight492.52 g/mol
Exact Mass492.20
IUPAC Name(2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol
SMILESCOc1cc(C[C@@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C25H32O10/c1-32-20-10-15(5-6-18(20)28)8-16(12-27)17-9-14(4-3-7-26)11-21(33-2)24(17)35-25-23(31)22(30)19(29)13-34-25/h3-6,9-11,16,19,22-23,25-31H,7-8,12-13H2,1-2H3/b4-3+/t16-,19+,22-,23+,25-/m0/s1
InChIKeyAKLXCEXECAYESR-DWLBACSESA-N
XLogP0.55
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 50.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3S,4R,5S,6S)-2-[(2S)-2-[2-hydroxy-5-(3-hydroxyprop-1-enyl)-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162813286
(2R,3S,4R,5R,6S)-2-[4-[(3S,3aS,6R,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
CID 166640047
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
2-[4-[2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]ethyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162965313
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 85192455
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
CID 163016012
(2S,3R,4S,5S,6R)-2-[4-[(2R,3R)-4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 45359589
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]phenoxy]oxane-2-carboxylic acid
CID 90381478
4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 56832872
[4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 162899562
2-[3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 85446955

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol (CID 102529867) is (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol is COc1cc(C[C@@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O.
What is the InChIKey of (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol?
The InChIKey is AKLXCEXECAYESR-DWLBACSESA-N. The full InChI is InChI=1S/C25H32O10/c1-32-20-10-15(5-6-18(20)28)8-16(12-27)17-9-14(4-3-7-26)11-21(33-2)24(17)35-25-23(31)22(30)19(29)13-34-25/h3-6,9-11,16,19,22-23,25-31H,7-8,12-13H2,1-2H3/b4-3+/t16-,19+,22-,23+,25-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol has a molecular weight of 492.52 g/mol, XLogP of 0.55, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102529867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).