(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

C7H15NO5 — CID 13005892

IUPAC(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1
InChIKeyZJRUOSSQTZGFJV-UHEPRFFZSA-N
MW193.20 g/mol
LogP-3.61
Rot. Bonds3

About (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 13005892) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID13005892
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1
InChIKeyZJRUOSSQTZGFJV-UHEPRFFZSA-N
XLogP-3.61
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 13005892) is (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is OCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is ZJRUOSSQTZGFJV-UHEPRFFZSA-N. The full InChI is InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 193.20 g/mol, XLogP of -3.61, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 13005892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).