CID 59892756

C6H11BO3 — CID 59892756

IUPAC—
SMILES[B][C@@H]1C[C@H](CO)C(O)C1O
InChIInChI=1S/C6H11BO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2H2/t3-,4-,5?,6?/m1/s1
InChIKeyFEZQZDPZAFMXIR-GQNXIQCSSA-N
MW141.96 g/mol
LogP-1.32
Rot. Bonds1

About CID 59892756

CID 59892756 (PubChem CID 59892756) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 59892756
PubChem CID59892756
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B][C@@H]1C[C@H](CO)C(O)C1O
InChIInChI=1S/C6H11BO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2H2/t3-,4-,5?,6?/m1/s1
InChIKeyFEZQZDPZAFMXIR-GQNXIQCSSA-N
XLogP-1.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
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 59892756?
The IUPAC name of CID 59892756 (CID 59892756) is not available.
What is the SMILES notation for CID 59892756?
The canonical SMILES for CID 59892756 is [B][C@@H]1C[C@H](CO)C(O)C1O.
What is the InChIKey of CID 59892756?
The InChIKey is FEZQZDPZAFMXIR-GQNXIQCSSA-N. The full InChI is InChI=1S/C6H11BO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2H2/t3-,4-,5?,6?/m1/s1.
What are the key properties of CID 59892756?
CID 59892756 has a molecular weight of 141.96 g/mol, XLogP of -1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59892756 is sourced from PubChem (CID 59892756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).