3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one

C9H15NO6 — CID 156818405

IUPAC3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H15NO6/c11-3-6-8(13)7(12)5(4-16-6)10-1-2-15-9(10)14/h5-8,11-13H,1-4H2/t5-,6-,7-,8+/m1/s1
InChIKeyIQWUALLNPCTGRT-XUTVFYLZSA-N
MW233.22 g/mol
LogP-2.08
Rot. Bonds2

About 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one

3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one (PubChem CID 156818405) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one
PubChem CID156818405
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H15NO6/c11-3-6-8(13)7(12)5(4-16-6)10-1-2-15-9(10)14/h5-8,11-13H,1-4H2/t5-,6-,7-,8+/m1/s1
InChIKeyIQWUALLNPCTGRT-XUTVFYLZSA-N
XLogP-2.08
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one (CID 156818405) is 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one is O=C1OCCN1[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is IQWUALLNPCTGRT-XUTVFYLZSA-N. The full InChI is InChI=1S/C9H15NO6/c11-3-6-8(13)7(12)5(4-16-6)10-1-2-15-9(10)14/h5-8,11-13H,1-4H2/t5-,6-,7-,8+/m1/s1.
What are the key properties of 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one?
3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 233.22 g/mol, XLogP of -2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 156818405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).