(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile

C7H9NO3 — CID 131854612

IUPAC(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile
SMILESN#C[C@H]1C=C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H9NO3/c8-3-5-1-2-6(10)7(4-9)11-5/h1-2,5-7,9-10H,4H2/t5-,6-,7-/m1/s1
InChIKeyXVTSNNNEDFULEQ-FSDSQADBSA-N
MW155.15 g/mol
LogP-0.81
Rot. Bonds1

About (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile

(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile (PubChem CID 131854612) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile.

Molecular Properties

Compound Name(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile
PubChem CID131854612
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile
SMILESN#C[C@H]1C=C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H9NO3/c8-3-5-1-2-6(10)7(4-9)11-5/h1-2,5-7,9-10H,4H2/t5-,6-,7-/m1/s1
InChIKeyXVTSNNNEDFULEQ-FSDSQADBSA-N
XLogP-0.81
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
CID 70300893
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(2R,3S,6R)-5-acetyl-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile
CID 101132993
(2R,3S,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)-3,6-dihydro-2H-pyran-3-ol
CID 101460016
(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol
CID 118716999
ethyl 2,2-difluoro-2-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 102286206
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
[(2S,3S,6S)-6-cyano-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101208134
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide
CID 155531090

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile?
The IUPAC name of (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile (CID 131854612) is (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile.
What is the SMILES notation for (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile?
The canonical SMILES for (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile is N#C[C@H]1C=C[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile?
The InChIKey is XVTSNNNEDFULEQ-FSDSQADBSA-N. The full InChI is InChI=1S/C7H9NO3/c8-3-5-1-2-6(10)7(4-9)11-5/h1-2,5-7,9-10H,4H2/t5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile?
(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile has a molecular weight of 155.15 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile is sourced from PubChem (CID 131854612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).