CID 157056025

C32H28NaO6 — CID 157056025

IUPAC—
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.[Na]
InChIInChI=1S/2C16H14O3.Na/c2*1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2*2-11H,1H3,(H,18,19);
InChIKeyAATMZPRFVXFRMR-UHFFFAOYSA-N
MW531.56 g/mol
LogP5.83
Rot. Bonds8

About CID 157056025

CID 157056025 (PubChem CID 157056025) has the molecular formula C32H28NaO6 and a molecular weight of 531.56 g/mol.

Molecular Properties

Compound NameCID 157056025
PubChem CID157056025
Molecular FormulaC32H28NaO6
Molecular Weight531.56 g/mol
Exact Mass531.18
IUPAC Name—
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.[Na]
InChIInChI=1S/2C16H14O3.Na/c2*1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2*2-11H,1H3,(H,18,19);
InChIKeyAATMZPRFVXFRMR-UHFFFAOYSA-N
XLogP5.83
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.56
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 157056025?
The IUPAC name of CID 157056025 (CID 157056025) is not available.
What is the SMILES notation for CID 157056025?
The canonical SMILES for CID 157056025 is CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.[Na].
What is the InChIKey of CID 157056025?
The InChIKey is AATMZPRFVXFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O3.Na/c2*1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2*2-11H,1H3,(H,18,19);.
What are the key properties of CID 157056025?
CID 157056025 has a molecular weight of 531.56 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157056025 is sourced from PubChem (CID 157056025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).