CID 59991615

C13H23B3O7P — CID 59991615

IUPAC—
SMILES[B][B][C@H]1CC(OC)[C@@H](COP(C)(=O)OC2C[C@H]([B])O[C@@H]2COC)O1
InChIInChI=1S/C13H23B3O7P/c1-18-6-10-9(4-12(14)21-10)23-24(3,17)20-7-11-8(19-2)5-13(16-15)22-11/h8-13H,4-7H2,1-3H3/t8?,9?,10-,11-,12-,13-,24?/m1/s1
InChIKeyUAQFDOVWDLLDBB-NSGBROTMSA-N
MW354.73 g/mol
LogP0.06
Rot. Bonds9

About CID 59991615

CID 59991615 (PubChem CID 59991615) has the molecular formula C13H23B3O7P and a molecular weight of 354.73 g/mol.

Molecular Properties

Compound NameCID 59991615
PubChem CID59991615
Molecular FormulaC13H23B3O7P
Molecular Weight354.73 g/mol
Exact Mass355.15
IUPAC Name—
SMILES[B][B][C@H]1CC(OC)[C@@H](COP(C)(=O)OC2C[C@H]([B])O[C@@H]2COC)O1
InChIInChI=1S/C13H23B3O7P/c1-18-6-10-9(4-12(14)21-10)23-24(3,17)20-7-11-8(19-2)5-13(16-15)22-11/h8-13H,4-7H2,1-3H3/t8?,9?,10-,11-,12-,13-,24?/m1/s1
InChIKeyUAQFDOVWDLLDBB-NSGBROTMSA-N
XLogP0.06
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.73
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59991615?
The IUPAC name of CID 59991615 (CID 59991615) is not available.
What is the SMILES notation for CID 59991615?
The canonical SMILES for CID 59991615 is [B][B][C@H]1CC(OC)[C@@H](COP(C)(=O)OC2C[C@H]([B])O[C@@H]2COC)O1.
What is the InChIKey of CID 59991615?
The InChIKey is UAQFDOVWDLLDBB-NSGBROTMSA-N. The full InChI is InChI=1S/C13H23B3O7P/c1-18-6-10-9(4-12(14)21-10)23-24(3,17)20-7-11-8(19-2)5-13(16-15)22-11/h8-13H,4-7H2,1-3H3/t8?,9?,10-,11-,12-,13-,24?/m1/s1.
What are the key properties of CID 59991615?
CID 59991615 has a molecular weight of 354.73 g/mol, XLogP of 0.06, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59991615 is sourced from PubChem (CID 59991615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).