(3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one

C6H9NO5 — CID 14888191

IUPAC(3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
SMILESO=C1N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C6H9NO5/c8-1-2-3(9)4-5(11-2)7-6(10)12-4/h2-5,8-9H,1H2,(H,7,10)/t2-,3-,4+,5-/m1/s1
InChIKeyJHLJBMKXTOOGCW-SQOUGZDYSA-N
MW175.14 g/mol
LogP-1.83
Rot. Bonds1

About (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one

(3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one (PubChem CID 14888191) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
PubChem CID14888191
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
SMILESO=C1N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C6H9NO5/c8-1-2-3(9)4-5(11-2)7-6(10)12-4/h2-5,8-9H,1H2,(H,7,10)/t2-,3-,4+,5-/m1/s1
InChIKeyJHLJBMKXTOOGCW-SQOUGZDYSA-N
XLogP-1.83
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one 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 (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
The IUPAC name of (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one (CID 14888191) is (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
The canonical SMILES for (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one is O=C1N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1.
What is the InChIKey of (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
The InChIKey is JHLJBMKXTOOGCW-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H9NO5/c8-1-2-3(9)4-5(11-2)7-6(10)12-4/h2-5,8-9H,1H2,(H,7,10)/t2-,3-,4+,5-/m1/s1.
What are the key properties of (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
(3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one has a molecular weight of 175.14 g/mol, XLogP of -1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aS)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one is sourced from PubChem (CID 14888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).