CID 88917813

C19H39BO6PSSi2 — CID 88917813

IUPAC—
SMILESCSC(=O)O[C@H]1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1[B]P
InChIInChI=1S/C19H39BO6PSSi2/c1-11(2)29(12(3)4)22-10-15-16(25-30(26-29,13(5)6)14(7)8)17(18(20-27)23-15)24-19(21)28-9/h11-18H,10,27H2,1-9H3/t15-,16?,17+,18-/m1/s1
InChIKeyQRJKWHFOSXXDRR-LGFRIEKESA-N
MW493.54 g/mol
LogP5.03
Rot. Bonds6

About CID 88917813

CID 88917813 (PubChem CID 88917813) has the molecular formula C19H39BO6PSSi2 and a molecular weight of 493.54 g/mol.

Molecular Properties

Compound NameCID 88917813
PubChem CID88917813
Molecular FormulaC19H39BO6PSSi2
Molecular Weight493.54 g/mol
Exact Mass493.18
IUPAC Name—
SMILESCSC(=O)O[C@H]1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1[B]P
InChIInChI=1S/C19H39BO6PSSi2/c1-11(2)29(12(3)4)22-10-15-16(25-30(26-29,13(5)6)14(7)8)17(18(20-27)23-15)24-19(21)28-9/h11-18H,10,27H2,1-9H3/t15-,16?,17+,18-/m1/s1
InChIKeyQRJKWHFOSXXDRR-LGFRIEKESA-N
XLogP5.03
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 55.03
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze CID 88917813 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 88917813?
The IUPAC name of CID 88917813 (CID 88917813) is not available.
What is the SMILES notation for CID 88917813?
The canonical SMILES for CID 88917813 is CSC(=O)O[C@H]1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1[B]P.
What is the InChIKey of CID 88917813?
The InChIKey is QRJKWHFOSXXDRR-LGFRIEKESA-N. The full InChI is InChI=1S/C19H39BO6PSSi2/c1-11(2)29(12(3)4)22-10-15-16(25-30(26-29,13(5)6)14(7)8)17(18(20-27)23-15)24-19(21)28-9/h11-18H,10,27H2,1-9H3/t15-,16?,17+,18-/m1/s1.
What are the key properties of CID 88917813?
CID 88917813 has a molecular weight of 493.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88917813 is sourced from PubChem (CID 88917813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).