(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

C6H9NO3 — CID 16665047

IUPAC(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H9NO3/c7-2-4-1-5(9)6(3-8)10-4/h4-6,8-9H,1,3H2/t4-,5+,6-/m1/s1
InChIKeyFXOCGLGSNBTIAA-NGJCXOISSA-N
MW143.14 g/mol
LogP-0.98
Rot. Bonds1

About (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (PubChem CID 16665047) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
PubChem CID16665047
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H9NO3/c7-2-4-1-5(9)6(3-8)10-4/h4-6,8-9H,1,3H2/t4-,5+,6-/m1/s1
InChIKeyFXOCGLGSNBTIAA-NGJCXOISSA-N
XLogP-0.98
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The IUPAC name of (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (CID 16665047) is (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is N#C[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The InChIKey is FXOCGLGSNBTIAA-NGJCXOISSA-N. The full InChI is InChI=1S/C6H9NO3/c7-2-4-1-5(9)6(3-8)10-4/h4-6,8-9H,1,3H2/t4-,5+,6-/m1/s1.
What are the key properties of (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile has a molecular weight of 143.14 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 16665047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).