CID 90191234

C14H30BO14P3 — CID 90191234

IUPAC—
SMILES[B]C1CC(OP(=O)(O)OCCCOP(=O)(O)OCCCOP(=O)(O)OCCCO)C(C)O1
InChIInChI=1S/C14H30BO14P3/c1-12-13(11-14(15)28-12)29-32(21,22)27-10-4-9-26-31(19,20)25-8-3-7-24-30(17,18)23-6-2-5-16/h12-14,16H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyCSVOPMGBHFBFCO-UHFFFAOYSA-N
MW526.11 g/mol
LogP1.22
Rot. Bonds18

About CID 90191234

CID 90191234 (PubChem CID 90191234) has the molecular formula C14H30BO14P3 and a molecular weight of 526.11 g/mol.

Molecular Properties

Compound NameCID 90191234
PubChem CID90191234
Molecular FormulaC14H30BO14P3
Molecular Weight526.11 g/mol
Exact Mass526.09
IUPAC Name—
SMILES[B]C1CC(OP(=O)(O)OCCCOP(=O)(O)OCCCOP(=O)(O)OCCCO)C(C)O1
InChIInChI=1S/C14H30BO14P3/c1-12-13(11-14(15)28-12)29-32(21,22)27-10-4-9-26-31(19,20)25-8-3-7-24-30(17,18)23-6-2-5-16/h12-14,16H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyCSVOPMGBHFBFCO-UHFFFAOYSA-N
XLogP1.22
TPSA196.74 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.11
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze CID 90191234 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 90191234?
The IUPAC name of CID 90191234 (CID 90191234) is not available.
What is the SMILES notation for CID 90191234?
The canonical SMILES for CID 90191234 is [B]C1CC(OP(=O)(O)OCCCOP(=O)(O)OCCCOP(=O)(O)OCCCO)C(C)O1.
What is the InChIKey of CID 90191234?
The InChIKey is CSVOPMGBHFBFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BO14P3/c1-12-13(11-14(15)28-12)29-32(21,22)27-10-4-9-26-31(19,20)25-8-3-7-24-30(17,18)23-6-2-5-16/h12-14,16H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of CID 90191234?
CID 90191234 has a molecular weight of 526.11 g/mol, XLogP of 1.22, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90191234 is sourced from PubChem (CID 90191234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).