1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione

C9H11IN2O5Se — CID 135073327

IUPAC1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2[Se][C@H](CO)C(O)C2O)cc1I
InChIInChI=1S/C9H11IN2O5Se/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5?,6?,8-/m1/s1
InChIKeyMWWDZNVFFPAERT-LVHTXCCMSA-N
MW433.06 g/mol
LogP-2.14
Rot. Bonds2

About 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione

1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione (PubChem CID 135073327) has the molecular formula C9H11IN2O5Se and a molecular weight of 433.06 g/mol. Its IUPAC name is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione
PubChem CID135073327
Molecular FormulaC9H11IN2O5Se
Molecular Weight433.06 g/mol
Exact Mass433.89
IUPAC Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2[Se][C@H](CO)C(O)C2O)cc1I
InChIInChI=1S/C9H11IN2O5Se/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5?,6?,8-/m1/s1
InChIKeyMWWDZNVFFPAERT-LVHTXCCMSA-N
XLogP-2.14
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.06
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione 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

5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
CID 90682961
5-iodo-1-[(1S,4R,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 70453049
1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 3001487
1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 46876101
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 155579064
1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 101108224
1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione
CID 67045394
1-[4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 170453432
1-[(5S,6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-iodopyrimidine-2,4-dione
CID 10322612
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-5-iodopyrimidine-2,4-dione
CID 10406438
1-[5-(deuteriooxymethyl)-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 118403474

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione (CID 135073327) is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2[Se][C@H](CO)C(O)C2O)cc1I.
What is the InChIKey of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione?
The InChIKey is MWWDZNVFFPAERT-LVHTXCCMSA-N. The full InChI is InChI=1S/C9H11IN2O5Se/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5?,6?,8-/m1/s1.
What are the key properties of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione?
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione has a molecular weight of 433.06 g/mol, XLogP of -2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 135073327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).