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

C6H8O5 — CID 5288331

IUPAC(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)CO1
InChIInChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyGQECVRZDTXJRPX-IMJSIDKUSA-N
MW160.12 g/mol
LogP-1.29
Rot. Bonds1

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

(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 5288331) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID5288331
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)CO1
InChIInChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyGQECVRZDTXJRPX-IMJSIDKUSA-N
XLogP-1.29
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 5288331) is (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is O=C(O)C1=C[C@H](O)[C@@H](O)CO1.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is GQECVRZDTXJRPX-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 5288331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).