CID 89105923

C6H11BFO5P — CID 89105923

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)C(OP(C)(=O)O)C1F
InChIInChI=1S/C6H11BFO5P/c1-14(10,11)13-5-3(2-9)12-6(7)4(5)8/h3-6,9H,2H2,1H3,(H,10,11)/t3-,4?,5?,6-/m1/s1
InChIKeyQTMKXVZUMBCIDB-YLZRJQLMSA-N
MW223.93 g/mol
LogP-0.59
Rot. Bonds3

About CID 89105923

CID 89105923 (PubChem CID 89105923) has the molecular formula C6H11BFO5P and a molecular weight of 223.93 g/mol.

Molecular Properties

Compound NameCID 89105923
PubChem CID89105923
Molecular FormulaC6H11BFO5P
Molecular Weight223.93 g/mol
Exact Mass224.04
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)C(OP(C)(=O)O)C1F
InChIInChI=1S/C6H11BFO5P/c1-14(10,11)13-5-3(2-9)12-6(7)4(5)8/h3-6,9H,2H2,1H3,(H,10,11)/t3-,4?,5?,6-/m1/s1
InChIKeyQTMKXVZUMBCIDB-YLZRJQLMSA-N
XLogP-0.59
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.93
LogP ≤ 5-0.59
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 89105923?
The IUPAC name of CID 89105923 (CID 89105923) is not available.
What is the SMILES notation for CID 89105923?
The canonical SMILES for CID 89105923 is [B][C@@H]1O[C@H](CO)C(OP(C)(=O)O)C1F.
What is the InChIKey of CID 89105923?
The InChIKey is QTMKXVZUMBCIDB-YLZRJQLMSA-N. The full InChI is InChI=1S/C6H11BFO5P/c1-14(10,11)13-5-3(2-9)12-6(7)4(5)8/h3-6,9H,2H2,1H3,(H,10,11)/t3-,4?,5?,6-/m1/s1.
What are the key properties of CID 89105923?
CID 89105923 has a molecular weight of 223.93 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89105923 is sourced from PubChem (CID 89105923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).