CID 173022458

C9H23N2Na2O8 — CID 173022458

IUPAC—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCN.[H-].[Na+].[Na]
InChIInChI=1S/4C2H4O2.CH6N2.2Na.H/c4*1-2(3)4;2-1-3;;;/h4*1H3,(H,3,4);1-3H2;;;/q;;;;;;+1;-1
InChIKeyKETVRQWCNPAWHX-UHFFFAOYSA-N
MW333.27 g/mol
LogP-4.04
Rot. Bonds

About CID 173022458

CID 173022458 (PubChem CID 173022458) has the molecular formula C9H23N2Na2O8 and a molecular weight of 333.27 g/mol.

Molecular Properties

Compound NameCID 173022458
PubChem CID173022458
Molecular FormulaC9H23N2Na2O8
Molecular Weight333.27 g/mol
Exact Mass333.12
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCN.[H-].[Na+].[Na]
InChIInChI=1S/4C2H4O2.CH6N2.2Na.H/c4*1-2(3)4;2-1-3;;;/h4*1H3,(H,3,4);1-3H2;;;/q;;;;;;+1;-1
InChIKeyKETVRQWCNPAWHX-UHFFFAOYSA-N
XLogP-4.04
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 5-4.04
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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CID 173241709
acetic acid;methanediamine
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tetrasodium;acetic acid;ethane-1,2-diamine;hydride
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disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
CID 173086150
CID 173086150
tricosasodium;acetic acid;hydride
CID 173423110
trisodium;acetic acid;hydride
CID 172996834
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 160967655
CID 160967655
CID 161328323
CID 161328323
CID 173365109
CID 173365109
calcium;sodium;acetic acid;hydride
CID 173169093

Frequently Asked Questions

What is the IUPAC name of CID 173022458?
The IUPAC name of CID 173022458 (CID 173022458) is not available.
What is the SMILES notation for CID 173022458?
The canonical SMILES for CID 173022458 is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCN.[H-].[Na+].[Na].
What is the InChIKey of CID 173022458?
The InChIKey is KETVRQWCNPAWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.CH6N2.2Na.H/c4*1-2(3)4;2-1-3;;;/h4*1H3,(H,3,4);1-3H2;;;/q;;;;;;+1;-1.
What are the key properties of CID 173022458?
CID 173022458 has a molecular weight of 333.27 g/mol, XLogP of -4.04, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173022458 is sourced from PubChem (CID 173022458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).