CID 59264388

C7H15BNO4P — CID 59264388

IUPAC—
SMILES[B][C@H]1C[C@@H](NP(C)(=O)O)[C@@H](COC)O1
InChIInChI=1S/C7H15BNO4P/c1-12-4-6-5(3-7(8)13-6)9-14(2,10)11/h5-7H,3-4H2,1-2H3,(H2,9,10,11)/t5-,6-,7-/m1/s1
InChIKeyYVOBABASAKKZEB-FSDSQADBSA-N
MW218.99 g/mol
LogP-0.31
Rot. Bonds4

About CID 59264388

CID 59264388 (PubChem CID 59264388) has the molecular formula C7H15BNO4P and a molecular weight of 218.99 g/mol.

Molecular Properties

Compound NameCID 59264388
PubChem CID59264388
Molecular FormulaC7H15BNO4P
Molecular Weight218.99 g/mol
Exact Mass219.08
IUPAC Name—
SMILES[B][C@H]1C[C@@H](NP(C)(=O)O)[C@@H](COC)O1
InChIInChI=1S/C7H15BNO4P/c1-12-4-6-5(3-7(8)13-6)9-14(2,10)11/h5-7H,3-4H2,1-2H3,(H2,9,10,11)/t5-,6-,7-/m1/s1
InChIKeyYVOBABASAKKZEB-FSDSQADBSA-N
XLogP-0.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.99
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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 59264388?
The IUPAC name of CID 59264388 (CID 59264388) is not available.
What is the SMILES notation for CID 59264388?
The canonical SMILES for CID 59264388 is [B][C@H]1C[C@@H](NP(C)(=O)O)[C@@H](COC)O1.
What is the InChIKey of CID 59264388?
The InChIKey is YVOBABASAKKZEB-FSDSQADBSA-N. The full InChI is InChI=1S/C7H15BNO4P/c1-12-4-6-5(3-7(8)13-6)9-14(2,10)11/h5-7H,3-4H2,1-2H3,(H2,9,10,11)/t5-,6-,7-/m1/s1.
What are the key properties of CID 59264388?
CID 59264388 has a molecular weight of 218.99 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59264388 is sourced from PubChem (CID 59264388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).