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

C6H13NO4 — CID 102432047

IUPAC(2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1NC[C@@](O)(CO)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-1-4-5(10)6(11,3-9)2-7-4/h4-5,7-11H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyZQMIUAFBMMIDFA-KVQBGUIXSA-N
MW163.17 g/mol
LogP-2.97
Rot. Bonds2

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

(2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 102432047) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID102432047
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1NC[C@@](O)(CO)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-1-4-5(10)6(11,3-9)2-7-4/h4-5,7-11H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyZQMIUAFBMMIDFA-KVQBGUIXSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol (CID 102432047) is (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@@H]1NC[C@@](O)(CO)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is ZQMIUAFBMMIDFA-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H13NO4/c8-1-4-5(10)6(11,3-9)2-7-4/h4-5,7-11H,1-3H2/t4-,5+,6+/m0/s1.
What are the key properties of (2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3R,4R)-2,4-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,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 102432047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).