CID 173241709

C9H25N2Na4O8 — CID 173241709

IUPAC—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCN.[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na]
InChIInChI=1S/4C2H4O2.CH6N2.4Na.3H/c4*1-2(3)4;2-1-3;;;;;;;/h4*1H3,(H,3,4);1-3H2;;;;;;;/q;;;;;;3*+1;3*-1
InChIKeyOMQCYINNYHJNTI-UHFFFAOYSA-N
MW381.27 g/mol
LogP-9.81
Rot. Bonds

About CID 173241709

CID 173241709 (PubChem CID 173241709) has the molecular formula C9H25N2Na4O8 and a molecular weight of 381.27 g/mol.

Molecular Properties

Compound NameCID 173241709
PubChem CID173241709
Molecular FormulaC9H25N2Na4O8
Molecular Weight381.27 g/mol
Exact Mass381.12
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCN.[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na]
InChIInChI=1S/4C2H4O2.CH6N2.4Na.3H/c4*1-2(3)4;2-1-3;;;;;;;/h4*1H3,(H,3,4);1-3H2;;;;;;;/q;;;;;;3*+1;3*-1
InChIKeyOMQCYINNYHJNTI-UHFFFAOYSA-N
XLogP-9.81
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 5-9.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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acetic acid;methanediamine
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disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
trisodium;acetic acid;hydride
CID 172996834
tricosasodium;acetic acid;hydride
CID 173423110
CID 161328323
CID 161328323
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 160967655
CID 160967655
CID 173365109
CID 173365109
calcium;sodium;acetic acid;hydride
CID 173169093

Frequently Asked Questions

What is the IUPAC name of CID 173241709?
The IUPAC name of CID 173241709 (CID 173241709) is not available.
What is the SMILES notation for CID 173241709?
The canonical SMILES for CID 173241709 is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCN.[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na].
What is the InChIKey of CID 173241709?
The InChIKey is OMQCYINNYHJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.CH6N2.4Na.3H/c4*1-2(3)4;2-1-3;;;;;;;/h4*1H3,(H,3,4);1-3H2;;;;;;;/q;;;;;;3*+1;3*-1.
What are the key properties of CID 173241709?
CID 173241709 has a molecular weight of 381.27 g/mol, XLogP of -9.81, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173241709 is sourced from PubChem (CID 173241709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).