bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid

C8H24N2O10S — CID 3083991

IUPACbis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid
SMILESNC(CO)(CO)CO.NC(CO)(CO)CO.O=S(=O)(O)O
InChIInChI=1S/2C4H11NO3.H2O4S/c2*5-4(1-6,2-7)3-8;1-5(2,3)4/h2*6-8H,1-3,5H2;(H2,1,2,3,4)
InChIKeyOLJBMOUMSAPNML-UHFFFAOYSA-N
MW340.35 g/mol
LogP-5.33
Rot. Bonds6

About bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid

bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid (PubChem CID 3083991) has the molecular formula C8H24N2O10S and a molecular weight of 340.35 g/mol. Its IUPAC name is bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid.

Molecular Properties

Compound Namebis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid
PubChem CID3083991
Molecular FormulaC8H24N2O10S
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Namebis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid
SMILESNC(CO)(CO)CO.NC(CO)(CO)CO.O=S(=O)(O)O
InChIInChI=1S/2C4H11NO3.H2O4S/c2*5-4(1-6,2-7)3-8;1-5(2,3)4/h2*6-8H,1-3,5H2;(H2,1,2,3,4)
InChIKeyOLJBMOUMSAPNML-UHFFFAOYSA-N
XLogP-5.33
TPSA248.02 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 5-5.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);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

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid?
The IUPAC name of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid (CID 3083991) is bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid.
What is the SMILES notation for bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid?
The canonical SMILES for bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid is NC(CO)(CO)CO.NC(CO)(CO)CO.O=S(=O)(O)O.
What is the InChIKey of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid?
The InChIKey is OLJBMOUMSAPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO3.H2O4S/c2*5-4(1-6,2-7)3-8;1-5(2,3)4/h2*6-8H,1-3,5H2;(H2,1,2,3,4).
What are the key properties of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid?
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid has a molecular weight of 340.35 g/mol, XLogP of -5.33, 6 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);sulfuric acid is sourced from PubChem (CID 3083991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).