(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol

C13H24O9 — CID 171051882

IUPAC(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
SMILESCC1OC(OCC2O[C@@H](O)C(C)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H24O9/c1-4-7(14)9(16)6(22-12(4)19)3-20-13-11(18)10(17)8(15)5(2)21-13/h4-19H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,10?,11?,12-,13?/m1/s1
InChIKeyHHLIAXCIUGNOSC-JOVAQIEBSA-N
MW324.33 g/mol
LogP-3.09
Rot. Bonds3

About (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol

(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol (PubChem CID 171051882) has the molecular formula C13H24O9 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
PubChem CID171051882
Molecular FormulaC13H24O9
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
SMILESCC1OC(OCC2O[C@@H](O)C(C)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H24O9/c1-4-7(14)9(16)6(22-12(4)19)3-20-13-11(18)10(17)8(15)5(2)21-13/h4-19H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,10?,11?,12-,13?/m1/s1
InChIKeyHHLIAXCIUGNOSC-JOVAQIEBSA-N
XLogP-3.09
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 5-3.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol with MolForge

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Related Compounds

(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54429868
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91857592
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91861088
N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
CID 91846417
(2R,3R,5R)-2-[[(3R,5R,6S)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58183858
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;methane;2-methyl-6-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxane-3,4,5-triol
CID 159395311
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162940353
(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91860000
2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162704967
(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91855345

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol?
The IUPAC name of (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol (CID 171051882) is (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol.
What is the SMILES notation for (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol?
The canonical SMILES for (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol is CC1OC(OCC2O[C@@H](O)C(C)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol?
The InChIKey is HHLIAXCIUGNOSC-JOVAQIEBSA-N. The full InChI is InChI=1S/C13H24O9/c1-4-7(14)9(16)6(22-12(4)19)3-20-13-11(18)10(17)8(15)5(2)21-13/h4-19H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,10?,11?,12-,13?/m1/s1.
What are the key properties of (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol?
(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol has a molecular weight of 324.33 g/mol, XLogP of -3.09, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol is sourced from PubChem (CID 171051882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).