CID 140657879

C11H21BO11P2 — CID 140657879

IUPAC—
SMILES[2H]C1CC(OP(=O)(O)OCC2OC([B])CC2O)C(COP(=O)(O)OC)O1
InChIInChI=1S/C11H21BO11P2/c1-18-24(14,15)20-6-10-8(2-3-19-10)23-25(16,17)21-5-9-7(13)4-11(12)22-9/h7-11,13H,2-6H2,1H3,(H,14,15)(H,16,17)/i3D
InChIKeyHHLUZRADRALVQS-WFVSFCRTSA-N
MW403.04 g/mol
LogP-0.31
Rot. Bonds9

About CID 140657879

CID 140657879 (PubChem CID 140657879) has the molecular formula C11H21BO11P2 and a molecular weight of 403.04 g/mol.

Molecular Properties

Compound NameCID 140657879
PubChem CID140657879
Molecular FormulaC11H21BO11P2
Molecular Weight403.04 g/mol
Exact Mass403.07
IUPAC Name—
SMILES[2H]C1CC(OP(=O)(O)OCC2OC([B])CC2O)C(COP(=O)(O)OC)O1
InChIInChI=1S/C11H21BO11P2/c1-18-24(14,15)20-6-10-8(2-3-19-10)23-25(16,17)21-5-9-7(13)4-11(12)22-9/h7-11,13H,2-6H2,1H3,(H,14,15)(H,16,17)/i3D
InChIKeyHHLUZRADRALVQS-WFVSFCRTSA-N
XLogP-0.31
TPSA150.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.04
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze CID 140657879 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 20609290
CID 20609290
CID 153446261
CID 153446261
CID 90304851
CID 90304851
CID 59968610
CID 59968610
CID 88941325
CID 88941325
CID 91242813
CID 91242813
CID 174019264
CID 174019264
CID 166590049
CID 166590049
CID 147341265
CID 147341265
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
6-hydroxyhexyl [4-hydroxy-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
CID 123351306
CID 58537873
CID 58537873

Frequently Asked Questions

What is the IUPAC name of CID 140657879?
The IUPAC name of CID 140657879 (CID 140657879) is not available.
What is the SMILES notation for CID 140657879?
The canonical SMILES for CID 140657879 is [2H]C1CC(OP(=O)(O)OCC2OC([B])CC2O)C(COP(=O)(O)OC)O1.
What is the InChIKey of CID 140657879?
The InChIKey is HHLUZRADRALVQS-WFVSFCRTSA-N. The full InChI is InChI=1S/C11H21BO11P2/c1-18-24(14,15)20-6-10-8(2-3-19-10)23-25(16,17)21-5-9-7(13)4-11(12)22-9/h7-11,13H,2-6H2,1H3,(H,14,15)(H,16,17)/i3D.
What are the key properties of CID 140657879?
CID 140657879 has a molecular weight of 403.04 g/mol, XLogP of -0.31, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140657879 is sourced from PubChem (CID 140657879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).