(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol

C6H11NO4 — CID 10725663

IUPAC(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESOCC1=N[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3,5-6,8-11H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyYACWZQLEGQUPOG-OTWZMJIISA-N
MW161.16 g/mol
LogP-2.48
Rot. Bonds2

About (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol

(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol (PubChem CID 10725663) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
PubChem CID10725663
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESOCC1=N[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3,5-6,8-11H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyYACWZQLEGQUPOG-OTWZMJIISA-N
XLogP-2.48
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The IUPAC name of (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol (CID 10725663) is (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol is OCC1=N[C@@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The InChIKey is YACWZQLEGQUPOG-OTWZMJIISA-N. The full InChI is InChI=1S/C6H11NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3,5-6,8-11H,1-2H2/t3-,5+,6+/m0/s1.
What are the key properties of (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
(2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol has a molecular weight of 161.16 g/mol, XLogP of -2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol is sourced from PubChem (CID 10725663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).