carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

C12H28N2O9 — CID 137364523

About carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 137364523) has the molecular formula C12H28N2O9 and a molecular weight of 344.36 g/mol. Its IUPAC name is carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

• Compound Name: carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
• PubChem CID: 137364523
• Molecular Formula: C12H28N2O9
• Molecular Weight: 344.36 g/mol
• Exact Mass: 344.18
• IUPAC Name: carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
• SMILES: O=C(O)O.OCC(CO)(CO)NCCCNC(CO)(CO)CO
• InChI: InChI=1S/C11H26N2O6.CH2O3/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19;2-1(3)4/h12-19H,1-9H2;(H2,2,3,4)
• InChIKey: NUEPMEPTOLIUON-UHFFFAOYSA-N
• XLogP: -3.79
• TPSA: 202.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.36
LogP ≤ 5	-3.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?

The IUPAC name of carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol (CID 137364523) is carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol.

What is the SMILES notation for carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?

The canonical SMILES for carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol is O=C(O)O.OCC(CO)(CO)NCCCNC(CO)(CO)CO.

What is the InChIKey of carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?

The InChIKey is NUEPMEPTOLIUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O6.CH2O3/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19;2-1(3)4/h12-19H,1-9H2;(H2,2,3,4).

What are the key properties of carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?

carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 344.36 g/mol, XLogP of -3.79, 12 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for carbonic acid;2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 137364523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).