(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol

C12H23NO7 — CID 134853754

IUPAC(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol
SMILESOCC(O)[C@@H]1O[C@@H](O)C(O)C1CC[C@@H]1NCC(O)C1O
InChIInChI=1S/C12H23NO7/c14-4-8(16)11-5(9(17)12(19)20-11)1-2-6-10(18)7(15)3-13-6/h5-19H,1-4H2/t5?,6-,7?,8?,9?,10?,11+,12+/m0/s1
InChIKeyCSEBLRBHRMAJFD-ZEMRRPDISA-N
MW293.32 g/mol
LogP-3.49
Rot. Bonds5

About (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol

(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol (PubChem CID 134853754) has the molecular formula C12H23NO7 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol
PubChem CID134853754
Molecular FormulaC12H23NO7
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol
SMILESOCC(O)[C@@H]1O[C@@H](O)C(O)C1CC[C@@H]1NCC(O)C1O
InChIInChI=1S/C12H23NO7/c14-4-8(16)11-5(9(17)12(19)20-11)1-2-6-10(18)7(15)3-13-6/h5-19H,1-4H2/t5?,6-,7?,8?,9?,10?,11+,12+/m0/s1
InChIKeyCSEBLRBHRMAJFD-ZEMRRPDISA-N
XLogP-3.49
TPSA142.64 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 5-3.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R)-2-[(1S)-2-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 100989165
(2S,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 162973395
(2S,3R,4S,5S,6R)-2-[[(1R,2R,5R,6R,7R,8R)-6,7-dihydroxy-1,5-bis(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72199476
(2S,3R,4S)-4-[(S)-(3,4-dihydroxypyrrolidin-2-yl)-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 44382346
(2S,4S)-4-[(S)-(3,4-dihydroxypyrrolidin-2-yl)-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 44382387
(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol
CID 142927779
(2R,3R,5S)-5-[(2R,5S,6S)-6-(fluoromethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-6-(hydroxymethyl)oxane-3,4-diol
CID 163704780
(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol
CID 134853724
(2S,5S)-2-[(R)-[(2S,5R)-2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyoxolan-3-yl]-hydroxymethyl]-6-methylpiperidine-3,4,5-triol
CID 134969642
(2S,5S)-2-[(S)-hydroxy-[(2R,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methylpiperidine-3,4,5-triol
CID 134969643
(2R)-2-[[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
CID 134969648
(2S,5S)-2-[(S)-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]-hydroxymethyl]-6-methylpiperidine-3,4,5-triol
CID 134969654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol?
The IUPAC name of (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol (CID 134853754) is (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol is OCC(O)[C@@H]1O[C@@H](O)C(O)C1CC[C@@H]1NCC(O)C1O.
What is the InChIKey of (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol?
The InChIKey is CSEBLRBHRMAJFD-ZEMRRPDISA-N. The full InChI is InChI=1S/C12H23NO7/c14-4-8(16)11-5(9(17)12(19)20-11)1-2-6-10(18)7(15)3-13-6/h5-19H,1-4H2/t5?,6-,7?,8?,9?,10?,11+,12+/m0/s1.
What are the key properties of (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol?
(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol has a molecular weight of 293.32 g/mol, XLogP of -3.49, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 134853754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).