CID 123996370

C6H10BFO5P+ — CID 123996370

IUPAC—
SMILES[B]C1OC(COC)C(O[P+](=O)O)C1F
InChIInChI=1S/C6H9BFO5P/c1-11-2-3-5(13-14(9)10)4(8)6(7)12-3/h3-6H,2H2,1H3/p+1
InChIKeyFURRLNZEEYPNBG-UHFFFAOYSA-O
MW222.93 g/mol
LogP-0.10
Rot. Bonds4

About CID 123996370

CID 123996370 (PubChem CID 123996370) has the molecular formula C6H10BFO5P+ and a molecular weight of 222.93 g/mol.

Molecular Properties

Compound NameCID 123996370
PubChem CID123996370
Molecular FormulaC6H10BFO5P+
Molecular Weight222.93 g/mol
Exact Mass223.03
IUPAC Name—
SMILES[B]C1OC(COC)C(O[P+](=O)O)C1F
InChIInChI=1S/C6H9BFO5P/c1-11-2-3-5(13-14(9)10)4(8)6(7)12-3/h3-6H,2H2,1H3/p+1
InChIKeyFURRLNZEEYPNBG-UHFFFAOYSA-O
XLogP-0.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.93
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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 123996370?
The IUPAC name of CID 123996370 (CID 123996370) is not available.
What is the SMILES notation for CID 123996370?
The canonical SMILES for CID 123996370 is [B]C1OC(COC)C(O[P+](=O)O)C1F.
What is the InChIKey of CID 123996370?
The InChIKey is FURRLNZEEYPNBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9BFO5P/c1-11-2-3-5(13-14(9)10)4(8)6(7)12-3/h3-6H,2H2,1H3/p+1.
What are the key properties of CID 123996370?
CID 123996370 has a molecular weight of 222.93 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123996370 is sourced from PubChem (CID 123996370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).