CID 123795619

C6H10BFO5P+ — CID 123795619

IUPAC—
SMILES[B]C1OC(CO)C(CO[P+](=O)O)C1F
InChIInChI=1S/C6H9BFO5P/c7-6-5(8)3(2-12-14(10)11)4(1-9)13-6/h3-6,9H,1-2H2/p+1
InChIKeyGQDBZHWCTFISPO-UHFFFAOYSA-O
MW222.92 g/mol
LogP-0.51
Rot. Bonds4

About CID 123795619

CID 123795619 (PubChem CID 123795619) has the molecular formula C6H10BFO5P+ and a molecular weight of 222.92 g/mol.

Molecular Properties

Compound NameCID 123795619
PubChem CID123795619
Molecular FormulaC6H10BFO5P+
Molecular Weight222.92 g/mol
Exact Mass223.03
IUPAC Name—
SMILES[B]C1OC(CO)C(CO[P+](=O)O)C1F
InChIInChI=1S/C6H9BFO5P/c7-6-5(8)3(2-12-14(10)11)4(1-9)13-6/h3-6,9H,1-2H2/p+1
InChIKeyGQDBZHWCTFISPO-UHFFFAOYSA-O
XLogP-0.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.92
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123795619?
The IUPAC name of CID 123795619 (CID 123795619) is not available.
What is the SMILES notation for CID 123795619?
The canonical SMILES for CID 123795619 is [B]C1OC(CO)C(CO[P+](=O)O)C1F.
What is the InChIKey of CID 123795619?
The InChIKey is GQDBZHWCTFISPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9BFO5P/c7-6-5(8)3(2-12-14(10)11)4(1-9)13-6/h3-6,9H,1-2H2/p+1.
What are the key properties of CID 123795619?
CID 123795619 has a molecular weight of 222.92 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123795619 is sourced from PubChem (CID 123795619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).