(3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

C44H88O7Si3 — CID 10771704

IUPAC(3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H]1CC[C@H]([C@H](CC[C@@H](CCCCCCC[C@@H]2C[C@@H](CC(C)=O)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C44H88O7Si3/c1-12-13-14-15-16-17-18-19-23-26-29-42(50-53(6,7)8)40-32-33-41(48-40)43(51-54(9,10)11)31-30-38(49-52(3,4)5)27-24-21-20-22-25-28-39-35-37(34-36(2)45)44(46)47-39/h37-43H,12-35H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m1/s1
InChIKeyRRLHPBPPGWKPGA-ALOLAALWSA-N
MW813.44 g/mol
LogP12.93
Rot. Bonds32

About (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

(3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one (PubChem CID 10771704) has the molecular formula C44H88O7Si3 and a molecular weight of 813.44 g/mol. Its IUPAC name is (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
PubChem CID10771704
Molecular FormulaC44H88O7Si3
Molecular Weight813.44 g/mol
Exact Mass812.58
IUPAC Name(3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H]1CC[C@H]([C@H](CC[C@@H](CCCCCCC[C@@H]2C[C@@H](CC(C)=O)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C44H88O7Si3/c1-12-13-14-15-16-17-18-19-23-26-29-42(50-53(6,7)8)40-32-33-41(48-40)43(51-54(9,10)11)31-30-38(49-52(3,4)5)27-24-21-20-22-25-28-39-35-37(34-36(2)45)44(46)47-39/h37-43H,12-35H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m1/s1
InChIKeyRRLHPBPPGWKPGA-ALOLAALWSA-N
XLogP12.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.44
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one 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 (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one?
The IUPAC name of (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one (CID 10771704) is (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one.
What is the SMILES notation for (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one?
The canonical SMILES for (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H]1CC[C@H]([C@H](CC[C@@H](CCCCCCC[C@@H]2C[C@@H](CC(C)=O)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1.
What is the InChIKey of (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one?
The InChIKey is RRLHPBPPGWKPGA-ALOLAALWSA-N. The full InChI is InChI=1S/C44H88O7Si3/c1-12-13-14-15-16-17-18-19-23-26-29-42(50-53(6,7)8)40-32-33-41(48-40)43(51-54(9,10)11)31-30-38(49-52(3,4)5)27-24-21-20-22-25-28-39-35-37(34-36(2)45)44(46)47-39/h37-43H,12-35H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m1/s1.
What are the key properties of (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one?
(3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one has a molecular weight of 813.44 g/mol, XLogP of 12.93, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(8R,11S)-8,11-bis(trimethylsilyloxy)-11-[(2R,5R)-5-[(1R)-1-trimethylsilyloxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one is sourced from PubChem (CID 10771704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).