(2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid

C7H10O5 — CID 134239353

IUPAC(2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESC[C@H]1OC(C(=O)O)=CC(O)C1O
InChIInChI=1S/C7H10O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2-4,6,8-9H,1H3,(H,10,11)/t3-,4?,6?/m1/s1
InChIKeyOCQSDXSEODLJNU-NDRTZFFLSA-N
MW174.15 g/mol
LogP-0.90
Rot. Bonds1

About (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 134239353) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID134239353
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESC[C@H]1OC(C(=O)O)=CC(O)C1O
InChIInChI=1S/C7H10O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2-4,6,8-9H,1H3,(H,10,11)/t3-,4?,6?/m1/s1
InChIKeyOCQSDXSEODLJNU-NDRTZFFLSA-N
XLogP-0.90
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3S,4R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-yl]ethanone
CID 67908335
(4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 88997793
(2R,3S,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 46936474
sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 140520708
(2R)-2-[[(5R)-4-[[(2R,5S)-3,5-dihydroxy-6-methyl-4-sulfooxyoxan-2-yl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 59886204
(2S,3R,4S)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 100956914
(2R,3R,4S)-3,4-dihydroxy-2-[3-[(2R)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 57347643
(2R,3R,4S)-3,4-dihydroxy-2-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 71751005
(2S,4R)-2-[[(2R,4R,5S)-2,5-dihydroxy-4-[[(2S,4S,5R)-4-hydroxy-6-methyl-3,5-disulfooxyoxan-2-yl]methoxymethyl]-6-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 91393402
2-[2,4-dihydroxy-5-(1-hydroxyethyl)oxolan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 163192725
(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid
CID 163397831
(2R,3S,4S)-2-[(2S,3S,4S,5S)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 124930849

Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 134239353) is (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid is C[C@H]1OC(C(=O)O)=CC(O)C1O.
What is the InChIKey of (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is OCQSDXSEODLJNU-NDRTZFFLSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-6(9)4(8)2-5(12-3)7(10)11/h2-4,6,8-9H,1H3,(H,10,11)/t3-,4?,6?/m1/s1.
What are the key properties of (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 174.15 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 134239353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).