CID 59073308

C17H26B3NO8P2- — CID 59073308

IUPAC—
SMILES[B][B]C1CC(OC)C(COP(C)OC2CC([B])OC2COP(=O)([O-])C2C=CN=C2C)O1
InChIInChI=1S/C17H27B3NO8P2/c1-10-15(4-5-21-10)31(22,23)26-9-14-12(6-16(18)27-14)29-30(3)25-8-13-11(24-2)7-17(20-19)28-13/h4-5,11-17H,6-9H2,1-3H3,(H,22,23)/p-1
InChIKeyRFJWLSKPYPWXCN-UHFFFAOYSA-M
MW466.78 g/mol
LogP0.46
Rot. Bonds11

About CID 59073308

CID 59073308 (PubChem CID 59073308) has the molecular formula C17H26B3NO8P2- and a molecular weight of 466.78 g/mol.

Molecular Properties

Compound NameCID 59073308
PubChem CID59073308
Molecular FormulaC17H26B3NO8P2-
Molecular Weight466.78 g/mol
Exact Mass467.14
IUPAC Name—
SMILES[B][B]C1CC(OC)C(COP(C)OC2CC([B])OC2COP(=O)([O-])C2C=CN=C2C)O1
InChIInChI=1S/C17H27B3NO8P2/c1-10-15(4-5-21-10)31(22,23)26-9-14-12(6-16(18)27-14)29-30(3)25-8-13-11(24-2)7-17(20-19)28-13/h4-5,11-17H,6-9H2,1-3H3,(H,22,23)/p-1
InChIKeyRFJWLSKPYPWXCN-UHFFFAOYSA-M
XLogP0.46
TPSA107.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.78
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze CID 59073308 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59991615
CID 59991615
CID 21036214
CID 21036214
CID 58593490
CID 58593490
CID 22965235
CID 22965235
CID 153446261
CID 153446261
CID 59804709
CID 59804709
CID 161313824
CID 161313824
CID 158919548
CID 158919548
CID 58537873
CID 58537873
CID 59991582
CID 59991582
CID 174326249
CID 174326249
CID 58533918
CID 58533918

Frequently Asked Questions

What is the IUPAC name of CID 59073308?
The IUPAC name of CID 59073308 (CID 59073308) is not available.
What is the SMILES notation for CID 59073308?
The canonical SMILES for CID 59073308 is [B][B]C1CC(OC)C(COP(C)OC2CC([B])OC2COP(=O)([O-])C2C=CN=C2C)O1.
What is the InChIKey of CID 59073308?
The InChIKey is RFJWLSKPYPWXCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H27B3NO8P2/c1-10-15(4-5-21-10)31(22,23)26-9-14-12(6-16(18)27-14)29-30(3)25-8-13-11(24-2)7-17(20-19)28-13/h4-5,11-17H,6-9H2,1-3H3,(H,22,23)/p-1.
What are the key properties of CID 59073308?
CID 59073308 has a molecular weight of 466.78 g/mol, XLogP of 0.46, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59073308 is sourced from PubChem (CID 59073308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).