azane;dicarboxy carbonate;zinc

C3H8N2O7Zn2 — CID 174882061

IUPACazane;dicarboxy carbonate;zinc
SMILESN.N.O=C(O)OC(=O)OC(=O)O.[Zn].[Zn]
InChIInChI=1S/C3H2O7.2H3N.2Zn/c4-1(5)9-3(8)10-2(6)7;;;;/h(H,4,5)(H,6,7);2*1H3;;
InChIKeyNJSUEFBSSZDNKU-UHFFFAOYSA-N
MW314.88 g/mol
LogP0.81
Rot. Bonds

About azane;dicarboxy carbonate;zinc

azane;dicarboxy carbonate;zinc (PubChem CID 174882061) has the molecular formula C3H8N2O7Zn2 and a molecular weight of 314.88 g/mol. Its IUPAC name is azane;dicarboxy carbonate;zinc.

Molecular Properties

Compound Nameazane;dicarboxy carbonate;zinc
PubChem CID174882061
Molecular FormulaC3H8N2O7Zn2
Molecular Weight314.88 g/mol
Exact Mass311.89
IUPAC Nameazane;dicarboxy carbonate;zinc
SMILESN.N.O=C(O)OC(=O)OC(=O)O.[Zn].[Zn]
InChIInChI=1S/C3H2O7.2H3N.2Zn/c4-1(5)9-3(8)10-2(6)7;;;;/h(H,4,5)(H,6,7);2*1H3;;
InChIKeyNJSUEFBSSZDNKU-UHFFFAOYSA-N
XLogP0.81
TPSA180.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dicarboxy carbonate
CID 18671322
dicarboxy carbonate;manganese
CID 174775106
carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
CID 175230414
magnesium;bis(barium(2+));dicarboxy carbonate;hydride
CID 174349687
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
dicarboxy carbonate;phosphoric acid
CID 160573536
carboxy hydrogen carbonate;hydrochloride
CID 141485807
magnesium;amino carboxy carbonate;difluoride
CID 173150021
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
azane;carboxy acetate;copper
CID 175513331
dicarboxy carbonate;2,3-dihydroxypropanal
CID 161413391
carboxy hydrogen carbonate;dichloromethane
CID 88783649

Frequently Asked Questions

What is the IUPAC name of azane;dicarboxy carbonate;zinc?
The IUPAC name of azane;dicarboxy carbonate;zinc (CID 174882061) is azane;dicarboxy carbonate;zinc.
What is the SMILES notation for azane;dicarboxy carbonate;zinc?
The canonical SMILES for azane;dicarboxy carbonate;zinc is N.N.O=C(O)OC(=O)OC(=O)O.[Zn].[Zn].
What is the InChIKey of azane;dicarboxy carbonate;zinc?
The InChIKey is NJSUEFBSSZDNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O7.2H3N.2Zn/c4-1(5)9-3(8)10-2(6)7;;;;/h(H,4,5)(H,6,7);2*1H3;;.
What are the key properties of azane;dicarboxy carbonate;zinc?
azane;dicarboxy carbonate;zinc has a molecular weight of 314.88 g/mol, XLogP of 0.81, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dicarboxy carbonate;zinc is sourced from PubChem (CID 174882061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).