(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

C6H9NO5 — CID 164603128

IUPAC(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H9NO5/c7-2-6(11)5(10)4(9)3(1-8)12-6/h3-5,8-11H,1H2/t3-,4-,5+,6-/m1/s1
InChIKeyUAMZEPHVXHRNKU-ARQDHWQXSA-N
MW175.14 g/mol
LogP-2.69
Rot. Bonds1

About (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (PubChem CID 164603128) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
PubChem CID164603128
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H9NO5/c7-2-6(11)5(10)4(9)3(1-8)12-6/h3-5,8-11H,1H2/t3-,4-,5+,6-/m1/s1
InChIKeyUAMZEPHVXHRNKU-ARQDHWQXSA-N
XLogP-2.69
TPSA113.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
3-[(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]propanenitrile
CID 70795442
(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol
CID 172553335
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(2S,3R,4S,5R,6R)-2-azido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carbonitrile
CID 100962429
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 176987115

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The IUPAC name of (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (CID 164603128) is (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is N#C[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The InChIKey is UAMZEPHVXHRNKU-ARQDHWQXSA-N. The full InChI is InChI=1S/C6H9NO5/c7-2-6(11)5(10)4(9)3(1-8)12-6/h3-5,8-11H,1H2/t3-,4-,5+,6-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile has a molecular weight of 175.14 g/mol, XLogP of -2.69, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 164603128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).