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

C6H9NO5 — CID 135018081

IUPAC(5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
SMILESO=C1NC2O[C@H](CO)[C@@H](O)C2O1
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-LRVBXBKUSA-N
MW175.14 g/mol
LogP-1.83
Rot. Bonds1

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

(5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one (PubChem CID 135018081) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
PubChem CID135018081
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one
SMILESO=C1NC2O[C@H](CO)[C@@H](O)C2O1
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-LRVBXBKUSA-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

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
The IUPAC name of (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one (CID 135018081) is (5R,6R)-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 (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
The canonical SMILES for (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one is O=C1NC2O[C@H](CO)[C@@H](O)C2O1.
What is the InChIKey of (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
The InChIKey is JHLJBMKXTOOGCW-LRVBXBKUSA-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 (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one?
(5R,6R)-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 (5R,6R)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one is sourced from PubChem (CID 135018081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).