CID 123684477

C15H30BO5P — CID 123684477

IUPAC—
SMILES[B]C1CCC(C(C)C(C)(CC)OP(=O)(O)C(O)(CC)CC)O1
InChIInChI=1S/C15H30BO5P/c1-6-14(5,11(4)12-9-10-13(16)20-12)21-22(18,19)15(17,7-2)8-3/h11-13,17H,6-10H2,1-5H3,(H,18,19)
InChIKeyBIALDDJSXCBBTB-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.18
Rot. Bonds8

About CID 123684477

CID 123684477 (PubChem CID 123684477) has the molecular formula C15H30BO5P and a molecular weight of 332.19 g/mol.

Molecular Properties

Compound NameCID 123684477
PubChem CID123684477
Molecular FormulaC15H30BO5P
Molecular Weight332.19 g/mol
Exact Mass332.19
IUPAC Name—
SMILES[B]C1CCC(C(C)C(C)(CC)OP(=O)(O)C(O)(CC)CC)O1
InChIInChI=1S/C15H30BO5P/c1-6-14(5,11(4)12-9-10-13(16)20-12)21-22(18,19)15(17,7-2)8-3/h11-13,17H,6-10H2,1-5H3,(H,18,19)
InChIKeyBIALDDJSXCBBTB-UHFFFAOYSA-N
XLogP3.18
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 123684477 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 123293120
CID 123293120
2-[hydroxy(3-hydroxypentan-3-yl)phosphoryl]oxybutan-2-ylphosphonic acid
CID 123971949
[2-[5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]-3-methylpentan-3-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 123882493
CID 174319424
CID 174319424
CID 90268150
CID 90268150
[2-[3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]-3-methylpentan-3-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 123875303
[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid
CID 13141546
2-[hydroxy(2-hydroxybutan-2-yl)phosphoryl]oxybutan-2-ylphosphonic acid
CID 174192214
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
[1-[5-(6-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 123177221
2-[(2S,3S,4R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 166783601
CID 90167538
CID 90167538

Frequently Asked Questions

What is the IUPAC name of CID 123684477?
The IUPAC name of CID 123684477 (CID 123684477) is not available.
What is the SMILES notation for CID 123684477?
The canonical SMILES for CID 123684477 is [B]C1CCC(C(C)C(C)(CC)OP(=O)(O)C(O)(CC)CC)O1.
What is the InChIKey of CID 123684477?
The InChIKey is BIALDDJSXCBBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BO5P/c1-6-14(5,11(4)12-9-10-13(16)20-12)21-22(18,19)15(17,7-2)8-3/h11-13,17H,6-10H2,1-5H3,(H,18,19).
What are the key properties of CID 123684477?
CID 123684477 has a molecular weight of 332.19 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123684477 is sourced from PubChem (CID 123684477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).