CID 159068194

C6H13BO3P — CID 159068194

IUPAC—
SMILESC[B][C@H]1CC(OP)[C@@H](CO)O1
InChIInChI=1S/C6H13BO3P/c1-7-6-2-4(10-11)5(3-8)9-6/h4-6,8H,2-3,11H2,1H3/t4?,5-,6-/m1/s1
InChIKeyLPAJXEIPGQXQBG-YSLANXFLSA-N
MW174.95 g/mol
LogP0.02
Rot. Bonds3

About CID 159068194

CID 159068194 (PubChem CID 159068194) has the molecular formula C6H13BO3P and a molecular weight of 174.95 g/mol.

Molecular Properties

Compound NameCID 159068194
PubChem CID159068194
Molecular FormulaC6H13BO3P
Molecular Weight174.95 g/mol
Exact Mass175.07
IUPAC Name—
SMILESC[B][C@H]1CC(OP)[C@@H](CO)O1
InChIInChI=1S/C6H13BO3P/c1-7-6-2-4(10-11)5(3-8)9-6/h4-6,8H,2-3,11H2,1H3/t4?,5-,6-/m1/s1
InChIKeyLPAJXEIPGQXQBG-YSLANXFLSA-N
XLogP0.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.95
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 159068194?
The IUPAC name of CID 159068194 (CID 159068194) is not available.
What is the SMILES notation for CID 159068194?
The canonical SMILES for CID 159068194 is C[B][C@H]1CC(OP)[C@@H](CO)O1.
What is the InChIKey of CID 159068194?
The InChIKey is LPAJXEIPGQXQBG-YSLANXFLSA-N. The full InChI is InChI=1S/C6H13BO3P/c1-7-6-2-4(10-11)5(3-8)9-6/h4-6,8H,2-3,11H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of CID 159068194?
CID 159068194 has a molecular weight of 174.95 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159068194 is sourced from PubChem (CID 159068194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).