CID 161328323

C10H26N2NaO9 — CID 161328323

IUPAC—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.O.[Na]
InChIInChI=1S/C2H8N2.4C2H4O2.Na.H2O/c3-1-2-4;4*1-2(3)4;;/h1-4H2;4*1H3,(H,3,4);;1H2
InChIKeyVLBOGLLDGKZDIR-UHFFFAOYSA-N
MW341.31 g/mol
LogP-1.94
Rot. Bonds1

About CID 161328323

CID 161328323 (PubChem CID 161328323) has the molecular formula C10H26N2NaO9 and a molecular weight of 341.31 g/mol.

Molecular Properties

Compound NameCID 161328323
PubChem CID161328323
Molecular FormulaC10H26N2NaO9
Molecular Weight341.31 g/mol
Exact Mass341.15
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.O.[Na]
InChIInChI=1S/C2H8N2.4C2H4O2.Na.H2O/c3-1-2-4;4*1-2(3)4;;/h1-4H2;4*1H3,(H,3,4);;1H2
InChIKeyVLBOGLLDGKZDIR-UHFFFAOYSA-N
XLogP-1.94
TPSA232.74 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.31
LogP ≤ 5-1.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 161328323?
The IUPAC name of CID 161328323 (CID 161328323) is not available.
What is the SMILES notation for CID 161328323?
The canonical SMILES for CID 161328323 is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.O.[Na].
What is the InChIKey of CID 161328323?
The InChIKey is VLBOGLLDGKZDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H4O2.Na.H2O/c3-1-2-4;4*1-2(3)4;;/h1-4H2;4*1H3,(H,3,4);;1H2.
What are the key properties of CID 161328323?
CID 161328323 has a molecular weight of 341.31 g/mol, XLogP of -1.94, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161328323 is sourced from PubChem (CID 161328323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).