CID 6335619

C12H16Mg3O14 — CID 6335619

IUPAC—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Mg].[Mg].[Mg]
InChIInChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;
InChIKeyAOHMFUYIHARAGR-UHFFFAOYSA-N
MW457.16 g/mol
LogP-3.64
Rot. Bonds10

About CID 6335619

CID 6335619 (PubChem CID 6335619) has the molecular formula C12H16Mg3O14 and a molecular weight of 457.16 g/mol.

Molecular Properties

Compound NameCID 6335619
PubChem CID6335619
Molecular FormulaC12H16Mg3O14
Molecular Weight457.16 g/mol
Exact Mass456.01
IUPAC Name—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Mg].[Mg].[Mg]
InChIInChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;
InChIKeyAOHMFUYIHARAGR-UHFFFAOYSA-N
XLogP-3.64
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.16
LogP ≤ 5-3.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 6335619?
The IUPAC name of CID 6335619 (CID 6335619) is not available.
What is the SMILES notation for CID 6335619?
The canonical SMILES for CID 6335619 is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Mg].[Mg].[Mg].
What is the InChIKey of CID 6335619?
The InChIKey is AOHMFUYIHARAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;.
What are the key properties of CID 6335619?
CID 6335619 has a molecular weight of 457.16 g/mol, XLogP of -3.64, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6335619 is sourced from PubChem (CID 6335619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).