CID 59102127

C4H5AuO4Se — CID 59102127

IUPAC—
SMILESO=C(O)CC([Se])C(=O)O.[Au]
InChIInChI=1S/C4H5O4Se.Au/c5-3(6)1-2(9)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);
InChIKeyMOMHNZVBXBHYMX-UHFFFAOYSA-N
MW393.01 g/mol
LogP-0.50
Rot. Bonds3

About CID 59102127

CID 59102127 (PubChem CID 59102127) has the molecular formula C4H5AuO4Se and a molecular weight of 393.01 g/mol.

Molecular Properties

Compound NameCID 59102127
PubChem CID59102127
Molecular FormulaC4H5AuO4Se
Molecular Weight393.01 g/mol
Exact Mass393.90
IUPAC Name—
SMILESO=C(O)CC([Se])C(=O)O.[Au]
InChIInChI=1S/C4H5O4Se.Au/c5-3(6)1-2(9)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);
InChIKeyMOMHNZVBXBHYMX-UHFFFAOYSA-N
XLogP-0.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.01
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59102127 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

CID 59102159
CID 59102159
(2S)-2-ethylbutanedioic acid
CID 6997245
bis(1,2-dicarboxyethyl)azaniumylideneazanide
CID 87575756
bis(1,2-dicarboxyethyl)-iminoazanium
CID 91166436
CID 131878873
CID 131878873
sodium;gold;hydride;2-sulfanylbutanedioic acid
CID 174506233
2-hydroxybutanedioic acid;iron
CID 174146167
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
(2R)-2-bromobutanedioic acid
CID 6995506
cobalt;2-hydroxybutanedioic acid
CID 87544145

Frequently Asked Questions

What is the IUPAC name of CID 59102127?
The IUPAC name of CID 59102127 (CID 59102127) is not available.
What is the SMILES notation for CID 59102127?
The canonical SMILES for CID 59102127 is O=C(O)CC([Se])C(=O)O.[Au].
What is the InChIKey of CID 59102127?
The InChIKey is MOMHNZVBXBHYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O4Se.Au/c5-3(6)1-2(9)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);.
What are the key properties of CID 59102127?
CID 59102127 has a molecular weight of 393.01 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102127 is sourced from PubChem (CID 59102127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).