(3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid

C8H14O6 — CID 154471183

IUPAC(3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid
SMILESCO[C@H]1C(C(=O)O)OC(C)C(O)C1O
InChIInChI=1S/C8H14O6/c1-3-4(9)5(10)6(13-2)7(14-3)8(11)12/h3-7,9-10H,1-2H3,(H,11,12)/t3?,4?,5?,6-,7?/m1/s1
InChIKeyWXZXBILTCQCFBG-VHJXUHCKSA-N
MW206.19 g/mol
LogP-1.40
Rot. Bonds2

About (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid

(3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid (PubChem CID 154471183) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid
PubChem CID154471183
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid
SMILESCO[C@H]1C(C(=O)O)OC(C)C(O)C1O
InChIInChI=1S/C8H14O6/c1-3-4(9)5(10)6(13-2)7(14-3)8(11)12/h3-7,9-10H,1-2H3,(H,11,12)/t3?,4?,5?,6-,7?/m1/s1
InChIKeyWXZXBILTCQCFBG-VHJXUHCKSA-N
XLogP-1.40
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-3,5-dihydroxy-4-methoxy-6-methyloxane-2-carboxylic acid
CID 122579172
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978
(3R,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 91138099
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
CID 91854426
(3S,4R,6R)-3-[(2R,4R,5S)-6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-methoxy-5-methyloxane-2-carboxylic acid;hydrate
CID 158209662
6-[2-carboxy-4,5-dihydroxy-6-(methylaminooxy)oxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
CID 123286048
(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid
CID 163414752
6-(4,5-dihydroxy-2,6-dimethyloxan-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 21018224
(3S,4R,6R)-4-hydroxy-3,6-dimethoxy-5-sulfooxyoxane-2-carboxylic acid
CID 88564904
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
CID 58899199

Frequently Asked Questions

What is the IUPAC name of (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid?
The IUPAC name of (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid (CID 154471183) is (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid.
What is the SMILES notation for (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid?
The canonical SMILES for (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid is CO[C@H]1C(C(=O)O)OC(C)C(O)C1O.
What is the InChIKey of (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid?
The InChIKey is WXZXBILTCQCFBG-VHJXUHCKSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-4(9)5(10)6(13-2)7(14-3)8(11)12/h3-7,9-10H,1-2H3,(H,11,12)/t3?,4?,5?,6-,7?/m1/s1.
What are the key properties of (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid?
(3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid has a molecular weight of 206.19 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,5-dihydroxy-3-methoxy-6-methyloxane-2-carboxylic acid is sourced from PubChem (CID 154471183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).