(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

C6H13NO4 — CID 59918213

IUPAC(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1N[C@H](CO)C(O)C1O
InChIInChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4+,5?,6?
InChIKeyPFYHYHZGDNWFIF-LAXKNYFCSA-N
MW163.17 g/mol
LogP-2.97
Rot. Bonds2

About (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 59918213) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID59918213
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1N[C@H](CO)C(O)C1O
InChIInChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4+,5?,6?
InChIKeyPFYHYHZGDNWFIF-LAXKNYFCSA-N
XLogP-2.97
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(2S,3R,4S,5S)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 130818537
(2S,3S,4S,5R)-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 131170181
(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 141199277
[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol
CID 139760499
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol
CID 85427488
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 46188189

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol (CID 59918213) is (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@@H]1N[C@H](CO)C(O)C1O.
What is the InChIKey of (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is PFYHYHZGDNWFIF-LAXKNYFCSA-N. The full InChI is InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4+,5?,6?.
What are the key properties of (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.97, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 59918213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).