(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one

C9H11NO6 — CID 91152900

IUPAC(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one
SMILESO=C1C(O)[C@@H](CO)O[C@H]1c1cc(O)[nH]c1O
InChIInChI=1S/C9H11NO6/c11-2-4-6(13)7(14)8(16-4)3-1-5(12)10-9(3)15/h1,4,6,8,10-13,15H,2H2/t4-,6?,8+/m1/s1
InChIKeyMVVPPCWNYINDIB-ITZNZTLASA-N
MW229.19 g/mol
LogP-1.21
Rot. Bonds2

About (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one

(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one (PubChem CID 91152900) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one
PubChem CID91152900
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Name(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one
SMILESO=C1C(O)[C@@H](CO)O[C@H]1c1cc(O)[nH]c1O
InChIInChI=1S/C9H11NO6/c11-2-4-6(13)7(14)8(16-4)3-1-5(12)10-9(3)15/h1,4,6,8,10-13,15H,2H2/t4-,6?,8+/m1/s1
InChIKeyMVVPPCWNYINDIB-ITZNZTLASA-N
XLogP-1.21
TPSA123.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one 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

trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium
CID 57151462
(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
CID 58758225
(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 135043917
(3R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 118285722
(2S,3S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-one
CID 118274789
(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one
CID 118285747
(2S,3S,5R,6R)-3-deuterio-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-4-one
CID 10442587
(2R,3R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-one
CID 3082234
5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 14410723
1-[(2R,3R,4S,5R)-2-deuterio-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487529
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dione
CID 57263964
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one?
The IUPAC name of (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one (CID 91152900) is (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one.
What is the SMILES notation for (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one?
The canonical SMILES for (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one is O=C1C(O)[C@@H](CO)O[C@H]1c1cc(O)[nH]c1O.
What is the InChIKey of (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one?
The InChIKey is MVVPPCWNYINDIB-ITZNZTLASA-N. The full InChI is InChI=1S/C9H11NO6/c11-2-4-6(13)7(14)8(16-4)3-1-5(12)10-9(3)15/h1,4,6,8,10-13,15H,2H2/t4-,6?,8+/m1/s1.
What are the key properties of (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one?
(2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one has a molecular weight of 229.19 g/mol, XLogP of -1.21, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2,5-dihydroxy-1H-pyrrol-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one is sourced from PubChem (CID 91152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).