(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol

C6H13NO6 — CID 18643923

IUPAC(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol
SMILESOC[C@@H](O)[C@]1(O)NC(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO6/c8-1-2(9)6(13)4(11)3(10)5(12)7-6/h2-5,7-13H,1H2/t2-,3+,4-,5?,6-/m1/s1
InChIKeySONNFTABFYGZHK-PJAHBXLESA-N
MW195.17 g/mol
LogP-4.33
Rot. Bonds2

About (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol

(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol (PubChem CID 18643923) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol
PubChem CID18643923
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol
SMILESOC[C@@H](O)[C@]1(O)NC(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO6/c8-1-2(9)6(13)4(11)3(10)5(12)7-6/h2-5,7-13H,1H2/t2-,3+,4-,5?,6-/m1/s1
InChIKeySONNFTABFYGZHK-PJAHBXLESA-N
XLogP-4.33
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-4.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol (CID 18643923) is (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol is OC[C@@H](O)[C@]1(O)NC(O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol?
The InChIKey is SONNFTABFYGZHK-PJAHBXLESA-N. The full InChI is InChI=1S/C6H13NO6/c8-1-2(9)6(13)4(11)3(10)5(12)7-6/h2-5,7-13H,1H2/t2-,3+,4-,5?,6-/m1/s1.
What are the key properties of (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol?
(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol has a molecular weight of 195.17 g/mol, XLogP of -4.33, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-2,3,4,5-tetrol is sourced from PubChem (CID 18643923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).