CID 156614162

C9H99Mo12N3O46P-3 — CID 156614162

IUPAC—
SMILESCN(C)C(=O)[O-].CN(C)C(=O)[O-].CN(C)C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[PH]
InChIInChI=1S/3C3H7NO2.12Mo.40H2O.HP/c3*1-4(2)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-2H3,(H,5,6);;;;;;;;;;;;;40*1H2;1H/p-3
InChIKeyRCDUXLQNPIBMRE-UHFFFAOYSA-K
MW2168.12 g/mol
LogP-35.75
Rot. Bonds

About CID 156614162

CID 156614162 (PubChem CID 156614162) has the molecular formula C9H99Mo12N3O46P-3 and a molecular weight of 2168.12 g/mol.

Molecular Properties

Compound NameCID 156614162
PubChem CID156614162
Molecular FormulaC9H99Mo12N3O46P-3
Molecular Weight2168.12 g/mol
Exact Mass2191.39
IUPAC Name—
SMILESCN(C)C(=O)[O-].CN(C)C(=O)[O-].CN(C)C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[PH]
InChIInChI=1S/3C3H7NO2.12Mo.40H2O.HP/c3*1-4(2)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-2H3,(H,5,6);;;;;;;;;;;;;40*1H2;1H/p-3
InChIKeyRCDUXLQNPIBMRE-UHFFFAOYSA-K
XLogP-35.75
TPSA1390.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002168.12
LogP ≤ 5-35.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156614162?
The IUPAC name of CID 156614162 (CID 156614162) is not available.
What is the SMILES notation for CID 156614162?
The canonical SMILES for CID 156614162 is CN(C)C(=O)[O-].CN(C)C(=O)[O-].CN(C)C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[PH].
What is the InChIKey of CID 156614162?
The InChIKey is RCDUXLQNPIBMRE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H7NO2.12Mo.40H2O.HP/c3*1-4(2)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-2H3,(H,5,6);;;;;;;;;;;;;40*1H2;1H/p-3.
What are the key properties of CID 156614162?
CID 156614162 has a molecular weight of 2168.12 g/mol, XLogP of -35.75, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156614162 is sourced from PubChem (CID 156614162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).