CID 173086150

C10H26CaN2NaO8 — CID 173086150

IUPAC—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[Ca+2].[H-].[H-].[Na]
InChIInChI=1S/C2H8N2.4C2H4O2.Ca.Na.2H/c3-1-2-4;4*1-2(3)4;;;;/h1-4H2;4*1H3,(H,3,4);;;;/q;;;;;+2;;2*-1
InChIKeyVDCTURCEMSECAW-UHFFFAOYSA-N
MW365.39 g/mol
LogP-1.27
Rot. Bonds1

About CID 173086150

CID 173086150 (PubChem CID 173086150) has the molecular formula C10H26CaN2NaO8 and a molecular weight of 365.39 g/mol.

Molecular Properties

Compound NameCID 173086150
PubChem CID173086150
Molecular FormulaC10H26CaN2NaO8
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[Ca+2].[H-].[H-].[Na]
InChIInChI=1S/C2H8N2.4C2H4O2.Ca.Na.2H/c3-1-2-4;4*1-2(3)4;;;;/h1-4H2;4*1H3,(H,3,4);;;;/q;;;;;+2;;2*-1
InChIKeyVDCTURCEMSECAW-UHFFFAOYSA-N
XLogP-1.27
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 5-1.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
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CID 173022458

Frequently Asked Questions

What is the IUPAC name of CID 173086150?
The IUPAC name of CID 173086150 (CID 173086150) is not available.
What is the SMILES notation for CID 173086150?
The canonical SMILES for CID 173086150 is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[Ca+2].[H-].[H-].[Na].
What is the InChIKey of CID 173086150?
The InChIKey is VDCTURCEMSECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H4O2.Ca.Na.2H/c3-1-2-4;4*1-2(3)4;;;;/h1-4H2;4*1H3,(H,3,4);;;;/q;;;;;+2;;2*-1.
What are the key properties of CID 173086150?
CID 173086150 has a molecular weight of 365.39 g/mol, XLogP of -1.27, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173086150 is sourced from PubChem (CID 173086150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).