(2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

C20H30O11 — CID 163019220

IUPAC(2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCOc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1
InChIKeyRHAUKLKHALHJDY-MKTDUQEUSA-N
MW446.45 g/mol
LogP-2.14
Rot. Bonds7

About (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

(2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 163019220) has the molecular formula C20H30O11 and a molecular weight of 446.45 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID163019220
Molecular FormulaC20H30O11
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name(2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCOc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1
InChIKeyRHAUKLKHALHJDY-MKTDUQEUSA-N
XLogP-2.14
TPSA167.53 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500446.45
LogP ≤ 5-2.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

Salidroside
CID 159278
Salicin
CID 439503
Polydatin
CID 5281718
Syringin
CID 5316860
phenyl beta-D-glucopyranoside
CID 65080
4-Methylumbelliferyl beta-D-glucopyranoside
CID 2733779
Coniferin
CID 5280372
Gastrodin
CID 115067
4-Methylumbelliferyl beta-D-galactopyranoside
CID 93577
methylumbelliferyl-alpha-D-mannopyranoside
CID 2733782
Secoisolariciresinol Diglucoside
CID 9917980
Dihydroconiferin
CID 14427336

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 163019220) is (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is COc1ccc(CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is RHAUKLKHALHJDY-MKTDUQEUSA-N. The full InChI is InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 446.45 g/mol, XLogP of -2.14, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 163019220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).