(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid

C9H14O6 — CID 118477335

IUPAC(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid
SMILESCC(C)O[C@@H]1OC(C(=O)O)C(O)=C[C@@H]1O
InChIInChI=1S/C9H14O6/c1-4(2)14-9-6(11)3-5(10)7(15-9)8(12)13/h3-4,6-7,9-11H,1-2H3,(H,12,13)/t6-,7?,9+/m0/s1
InChIKeyCDWNLPLVOXSOQC-JFOAVASISA-N
MW218.20 g/mol
LogP0.02
Rot. Bonds3

About (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid

(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 118477335) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid
PubChem CID118477335
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid
SMILESCC(C)O[C@@H]1OC(C(=O)O)C(O)=C[C@@H]1O
InChIInChI=1S/C9H14O6/c1-4(2)14-9-6(11)3-5(10)7(15-9)8(12)13/h3-4,6-7,9-11H,1-2H3,(H,12,13)/t6-,7?,9+/m0/s1
InChIKeyCDWNLPLVOXSOQC-JFOAVASISA-N
XLogP0.02
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid (CID 118477335) is (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid is CC(C)O[C@@H]1OC(C(=O)O)C(O)=C[C@@H]1O.
What is the InChIKey of (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is CDWNLPLVOXSOQC-JFOAVASISA-N. The full InChI is InChI=1S/C9H14O6/c1-4(2)14-9-6(11)3-5(10)7(15-9)8(12)13/h3-4,6-7,9-11H,1-2H3,(H,12,13)/t6-,7?,9+/m0/s1.
What are the key properties of (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid?
(2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 218.20 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,5-dihydroxy-2-propan-2-yloxy-3,6-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 118477335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).