[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate

C8H12O6 — CID 70248013

IUPAC[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate
SMILESCCC(=O)O[C@H]1C(=O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C8H12O6/c1-2-5(10)14-7-6(11)4(9)3-13-8(7)12/h4,6-7,9,11H,2-3H2,1H3/t4-,6-,7-/m1/s1
InChIKeyXWQNGBOTKWLGLM-QPPQHZFASA-N
MW204.18 g/mol
LogP-1.41
Rot. Bonds2

About [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate

[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate (PubChem CID 70248013) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate.

Molecular Properties

Compound Name[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate
PubChem CID70248013
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate
SMILESCCC(=O)O[C@H]1C(=O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C8H12O6/c1-2-5(10)14-7-6(11)4(9)3-13-8(7)12/h4,6-7,9,11H,2-3H2,1H3/t4-,6-,7-/m1/s1
InChIKeyXWQNGBOTKWLGLM-QPPQHZFASA-N
XLogP-1.41
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate?
The IUPAC name of [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate (CID 70248013) is [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate.
What is the SMILES notation for [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate?
The canonical SMILES for [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate is CCC(=O)O[C@H]1C(=O)OC[C@@H](O)[C@H]1O.
What is the InChIKey of [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate?
The InChIKey is XWQNGBOTKWLGLM-QPPQHZFASA-N. The full InChI is InChI=1S/C8H12O6/c1-2-5(10)14-7-6(11)4(9)3-13-8(7)12/h4,6-7,9,11H,2-3H2,1H3/t4-,6-,7-/m1/s1.
What are the key properties of [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate?
[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate has a molecular weight of 204.18 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate is sourced from PubChem (CID 70248013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).