carboxylato carbonate;bis(samarium(3+))

C6O15Sm2 — CID 160687962

IUPACcarboxylato carbonate;bis(samarium(3+))
SMILESO=C([O-])OC(=O)[O-].O=C([O-])OC(=O)[O-].O=C([O-])OC(=O)[O-].[Sm+3].[Sm+3]
InChIInChI=1S/3C2H2O5.2Sm/c3*3-1(4)7-2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChIKeyRPABXVYJPKTSMD-UHFFFAOYSA-H
MW612.77 g/mol
LogP-6.93
Rot. Bonds

About carboxylato carbonate;bis(samarium(3+))

carboxylato carbonate;bis(samarium(3+)) (PubChem CID 160687962) has the molecular formula C6O15Sm2 and a molecular weight of 612.77 g/mol. Its IUPAC name is carboxylato carbonate;bis(samarium(3+)).

Molecular Properties

Compound Namecarboxylato carbonate;bis(samarium(3+))
PubChem CID160687962
Molecular FormulaC6O15Sm2
Molecular Weight612.77 g/mol
Exact Mass615.76
IUPAC Namecarboxylato carbonate;bis(samarium(3+))
SMILESO=C([O-])OC(=O)[O-].O=C([O-])OC(=O)[O-].O=C([O-])OC(=O)[O-].[Sm+3].[Sm+3]
InChIInChI=1S/3C2H2O5.2Sm/c3*3-1(4)7-2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChIKeyRPABXVYJPKTSMD-UHFFFAOYSA-H
XLogP-6.93
TPSA268.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 5-6.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze carboxylato carbonate;bis(samarium(3+)) 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

carboxylato carbonate;thorium(2+)
CID 21149383
carboxylato carbonate;iron(3+)
CID 172818813
magnesium carboxylato carbonate
CID 87890039
carboxylatooxycarbonyl carbonate;bis(gadolinium(3+))
CID 170843196
cesium;potassium;carboxylatooxycarbonyl carbonate
CID 174165319
trisodium;carboxy carbonate;dihydrate
CID 140596091
calcium;ruthenium;carbonate
CID 87309849
diazanium;oxido carbonate
CID 22665386
manganese(2+);oxaldehydate
CID 88753810
sodium;oxaldehydate;hydrate
CID 23720423
iridium(3+);oxaldehydate;trihydrate
CID 159707808
calcium bromo carbonate
CID 142761680

Frequently Asked Questions

What is the IUPAC name of carboxylato carbonate;bis(samarium(3+))?
The IUPAC name of carboxylato carbonate;bis(samarium(3+)) (CID 160687962) is carboxylato carbonate;bis(samarium(3+)).
What is the SMILES notation for carboxylato carbonate;bis(samarium(3+))?
The canonical SMILES for carboxylato carbonate;bis(samarium(3+)) is O=C([O-])OC(=O)[O-].O=C([O-])OC(=O)[O-].O=C([O-])OC(=O)[O-].[Sm+3].[Sm+3].
What is the InChIKey of carboxylato carbonate;bis(samarium(3+))?
The InChIKey is RPABXVYJPKTSMD-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O5.2Sm/c3*3-1(4)7-2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6.
What are the key properties of carboxylato carbonate;bis(samarium(3+))?
carboxylato carbonate;bis(samarium(3+)) has a molecular weight of 612.77 g/mol, XLogP of -6.93, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for carboxylato carbonate;bis(samarium(3+)) is sourced from PubChem (CID 160687962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).