(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C30H36O11 — CID 10793201

IUPAC(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2OC)ccc1OCc1ccccc1
InChIInChI=1S/C30H36O11/c1-36-20-10-6-7-11-22(20)40-25(17-39-30-29(35)28(34)27(33)24(15-31)41-30)26(32)19-12-13-21(23(14-19)37-2)38-16-18-8-4-3-5-9-18/h3-14,24-35H,15-17H2,1-2H3/t24-,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyXDDFUGFAXNNXDO-BRJGIXHVSA-N
MW572.61 g/mol
LogP1.58
Rot. Bonds13

About (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10793201) has the molecular formula C30H36O11 and a molecular weight of 572.61 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID10793201
Molecular FormulaC30H36O11
Molecular Weight572.61 g/mol
Exact Mass572.23
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2OC)ccc1OCc1ccccc1
InChIInChI=1S/C30H36O11/c1-36-20-10-6-7-11-22(20)40-25(17-39-30-29(35)28(34)27(33)24(15-31)41-30)26(32)19-12-13-21(23(14-19)37-2)38-16-18-8-4-3-5-9-18/h3-14,24-35H,15-17H2,1-2H3/t24-,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyXDDFUGFAXNNXDO-BRJGIXHVSA-N
XLogP1.58
TPSA156.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.61
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(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
[(3R,4S,5R,6R)-4,5-dibenzoyloxy-6-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]oxan-3-yl] benzoate
CID 10557529
(3R,4S,5S,6R)-2-[1-(3,4-dimethoxyphenyl)-1,3-dihydroxypropan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163017935
(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
2-[3-[4-[1,3-dihydroxy-1-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163045942
(2R,3R,4S,5S,6R)-2-[(1R)-1-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 100948901
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10793201) is (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2OC)ccc1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XDDFUGFAXNNXDO-BRJGIXHVSA-N. The full InChI is InChI=1S/C30H36O11/c1-36-20-10-6-7-11-22(20)40-25(17-39-30-29(35)28(34)27(33)24(15-31)41-30)26(32)19-12-13-21(23(14-19)37-2)38-16-18-8-4-3-5-9-18/h3-14,24-35H,15-17H2,1-2H3/t24-,25+,26-,27-,28+,29-,30-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 572.61 g/mol, XLogP of 1.58, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10793201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).