CID 59804673

C6H11BO3 — CID 59804673

IUPAC—
SMILES[B][C@H]1C[C@@H](OC)[C@@H](CO)O1
InChIInChI=1S/C6H11BO3/c1-9-4-2-6(7)10-5(4)3-8/h4-6,8H,2-3H2,1H3/t4-,5-,6-/m1/s1
InChIKeyHUCBBCDHRPPNFD-HSUXUTPPSA-N
MW141.96 g/mol
LogP-0.72
Rot. Bonds2

About CID 59804673

CID 59804673 (PubChem CID 59804673) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 59804673
PubChem CID59804673
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B][C@H]1C[C@@H](OC)[C@@H](CO)O1
InChIInChI=1S/C6H11BO3/c1-9-4-2-6(7)10-5(4)3-8/h4-6,8H,2-3H2,1H3/t4-,5-,6-/m1/s1
InChIKeyHUCBBCDHRPPNFD-HSUXUTPPSA-N
XLogP-0.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
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 59804673?
The IUPAC name of CID 59804673 (CID 59804673) is not available.
What is the SMILES notation for CID 59804673?
The canonical SMILES for CID 59804673 is [B][C@H]1C[C@@H](OC)[C@@H](CO)O1.
What is the InChIKey of CID 59804673?
The InChIKey is HUCBBCDHRPPNFD-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H11BO3/c1-9-4-2-6(7)10-5(4)3-8/h4-6,8H,2-3H2,1H3/t4-,5-,6-/m1/s1.
What are the key properties of CID 59804673?
CID 59804673 has a molecular weight of 141.96 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59804673 is sourced from PubChem (CID 59804673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).