CID 23417335

C20H20O7P- — CID 23417335

IUPAC—
SMILESCC1(C)O[P-]23(OCCO2)(OC1=O)OC(c1ccccc1)=C(c1ccccc1)O3
InChIInChI=1S/C20H20O7P/c1-20(2)19(21)26-28(27-20,22-13-14-23-28)24-17(15-9-5-3-6-10-15)18(25-28)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q-1
InChIKeyCEIJJEAYCVOKSX-UHFFFAOYSA-N
MW403.35 g/mol
LogP4.54
Rot. Bonds2

About CID 23417335

CID 23417335 (PubChem CID 23417335) has the molecular formula C20H20O7P- and a molecular weight of 403.35 g/mol.

Molecular Properties

Compound NameCID 23417335
PubChem CID23417335
Molecular FormulaC20H20O7P-
Molecular Weight403.35 g/mol
Exact Mass403.10
IUPAC Name—
SMILESCC1(C)O[P-]23(OCCO2)(OC1=O)OC(c1ccccc1)=C(c1ccccc1)O3
InChIInChI=1S/C20H20O7P/c1-20(2)19(21)26-28(27-20,22-13-14-23-28)24-17(15-9-5-3-6-10-15)18(25-28)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q-1
InChIKeyCEIJJEAYCVOKSX-UHFFFAOYSA-N
XLogP4.54
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23417335?
The IUPAC name of CID 23417335 (CID 23417335) is not available.
What is the SMILES notation for CID 23417335?
The canonical SMILES for CID 23417335 is CC1(C)O[P-]23(OCCO2)(OC1=O)OC(c1ccccc1)=C(c1ccccc1)O3.
What is the InChIKey of CID 23417335?
The InChIKey is CEIJJEAYCVOKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7P/c1-20(2)19(21)26-28(27-20,22-13-14-23-28)24-17(15-9-5-3-6-10-15)18(25-28)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q-1.
What are the key properties of CID 23417335?
CID 23417335 has a molecular weight of 403.35 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23417335 is sourced from PubChem (CID 23417335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).