CID 20732790

C6H11BO3Y2 — CID 20732790

IUPAC—
SMILES[B]C1OC(CO)C(O)C1C.[Y].[Y]
InChIInChI=1S/C6H11BO3.2Y/c1-3-5(9)4(2-8)10-6(3)7;;/h3-6,8-9H,2H2,1H3;;
InChIKeyFCQAMGZAWNBXDZ-UHFFFAOYSA-N
MW319.78 g/mol
LogP-1.14
Rot. Bonds1

About CID 20732790

CID 20732790 (PubChem CID 20732790) has the molecular formula C6H11BO3Y2 and a molecular weight of 319.78 g/mol.

Molecular Properties

Compound NameCID 20732790
PubChem CID20732790
Molecular FormulaC6H11BO3Y2
Molecular Weight319.78 g/mol
Exact Mass319.89
IUPAC Name—
SMILES[B]C1OC(CO)C(O)C1C.[Y].[Y]
InChIInChI=1S/C6H11BO3.2Y/c1-3-5(9)4(2-8)10-6(3)7;;/h3-6,8-9H,2H2,1H3;;
InChIKeyFCQAMGZAWNBXDZ-UHFFFAOYSA-N
XLogP-1.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20732790?
The IUPAC name of CID 20732790 (CID 20732790) is not available.
What is the SMILES notation for CID 20732790?
The canonical SMILES for CID 20732790 is [B]C1OC(CO)C(O)C1C.[Y].[Y].
What is the InChIKey of CID 20732790?
The InChIKey is FCQAMGZAWNBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO3.2Y/c1-3-5(9)4(2-8)10-6(3)7;;/h3-6,8-9H,2H2,1H3;;.
What are the key properties of CID 20732790?
CID 20732790 has a molecular weight of 319.78 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20732790 is sourced from PubChem (CID 20732790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).