(2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile

C7H11NO3 — CID 134969734

IUPAC(2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile
SMILESC[C@H]1C[C@H](O)[C@@](C#N)(CO)O1
InChIInChI=1S/C7H11NO3/c1-5-2-6(10)7(3-8,4-9)11-5/h5-6,9-10H,2,4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyLIUDNQRIMRZBJH-LYFYHCNISA-N
MW157.17 g/mol
LogP-0.59
Rot. Bonds1

About (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile

(2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile (PubChem CID 134969734) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile.

Molecular Properties

Compound Name(2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile
PubChem CID134969734
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile
SMILESC[C@H]1C[C@H](O)[C@@](C#N)(CO)O1
InChIInChI=1S/C7H11NO3/c1-5-2-6(10)7(3-8,4-9)11-5/h5-6,9-10H,2,4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyLIUDNQRIMRZBJH-LYFYHCNISA-N
XLogP-0.59
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile?
The IUPAC name of (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile (CID 134969734) is (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile.
What is the SMILES notation for (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile?
The canonical SMILES for (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile is C[C@H]1C[C@H](O)[C@@](C#N)(CO)O1.
What is the InChIKey of (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile?
The InChIKey is LIUDNQRIMRZBJH-LYFYHCNISA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-2-6(10)7(3-8,4-9)11-5/h5-6,9-10H,2,4H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile?
(2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile has a molecular weight of 157.17 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-hydroxy-2-(hydroxymethyl)-5-methyloxolane-2-carbonitrile is sourced from PubChem (CID 134969734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).