2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid

C4H8NdO10S — CID 174682614

IUPAC2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid
SMILESO=C(O)C(O)C(O)C(=O)O.O=S(=O)(O)O.[Nd]
InChIInChI=1S/C4H6O6.Nd.H2O4S/c5-1(3(7)8)2(6)4(9)10;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);;(H2,1,2,3,4)
InChIKeyUFBYGVDPBUOGKO-UHFFFAOYSA-N
MW392.41 g/mol
LogP-2.78
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid

2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid (PubChem CID 174682614) has the molecular formula C4H8NdO10S and a molecular weight of 392.41 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid
PubChem CID174682614
Molecular FormulaC4H8NdO10S
Molecular Weight392.41 g/mol
Exact Mass389.89
IUPAC Name2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid
SMILESO=C(O)C(O)C(O)C(=O)O.O=S(=O)(O)O.[Nd]
InChIInChI=1S/C4H6O6.Nd.H2O4S/c5-1(3(7)8)2(6)4(9)10;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);;(H2,1,2,3,4)
InChIKeyUFBYGVDPBUOGKO-UHFFFAOYSA-N
XLogP-2.78
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 5-2.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid 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

azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid
CID 173352589
magnesium;potassium;2,3-dihydroxybutanedioic acid;hydride;sulfuric acid
CID 174389958
dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
CID 173273256
lithium;potassium;2,3-dihydroxybutanedioic acid;hydride
CID 173108062
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid?
The IUPAC name of 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid (CID 174682614) is 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid is O=C(O)C(O)C(O)C(=O)O.O=S(=O)(O)O.[Nd].
What is the InChIKey of 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid?
The InChIKey is UFBYGVDPBUOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.Nd.H2O4S/c5-1(3(7)8)2(6)4(9)10;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);;(H2,1,2,3,4).
What are the key properties of 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid?
2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid has a molecular weight of 392.41 g/mol, XLogP of -2.78, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;neodymium;sulfuric acid is sourced from PubChem (CID 174682614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).