CID 156588715

C20H10I2NaO5 — CID 156588715

IUPAC—
SMILESO=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na]
InChIInChI=1S/C20H10I2O5.Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;/h1-8,23-24H;
InChIKeyFWGOOTFPYAPCBC-UHFFFAOYSA-N
MW607.09 g/mol
LogP4.49
Rot. Bonds

About CID 156588715

CID 156588715 (PubChem CID 156588715) has the molecular formula C20H10I2NaO5 and a molecular weight of 607.09 g/mol.

Molecular Properties

Compound NameCID 156588715
PubChem CID156588715
Molecular FormulaC20H10I2NaO5
Molecular Weight607.09 g/mol
Exact Mass606.85
IUPAC Name—
SMILESO=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na]
InChIInChI=1S/C20H10I2O5.Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;/h1-8,23-24H;
InChIKeyFWGOOTFPYAPCBC-UHFFFAOYSA-N
XLogP4.49
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.09
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156588715?
The IUPAC name of CID 156588715 (CID 156588715) is not available.
What is the SMILES notation for CID 156588715?
The canonical SMILES for CID 156588715 is O=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na].
What is the InChIKey of CID 156588715?
The InChIKey is FWGOOTFPYAPCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10I2O5.Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;/h1-8,23-24H;.
What are the key properties of CID 156588715?
CID 156588715 has a molecular weight of 607.09 g/mol, XLogP of 4.49, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156588715 is sourced from PubChem (CID 156588715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).