[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate

C50H95O10PSi — CID 87633615

IUPAC[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)O[C@H]1[C@H](OCC[C@@H](CCCCCCC)OC)[C@@H](OCCCCCCCCCC/C=C\CCCCCC)C(O/C=C/C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H95O10PSi/c1-12-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-41-53-48-47(54-42-37-44(52-9)36-34-32-20-18-13-2)46(60-61(51,56-39-15-4)57-40-16-5)45(59-49(48)55-38-14-3)43-58-62(10,11)50(6,7)8/h14-16,23-24,38,44-49H,4-5,12-13,17-22,25-37,39-43H2,1-3,6-11H3/b24-23-,38-14+/t44-,45-,46-,47+,48-,49?/m1/s1
InChIKeyDYDJKZBTJDKFSZ-JYMYDZDOSA-N
MW915.36 g/mol
LogP14.76
Rot. Bonds41

About [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate

[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate (PubChem CID 87633615) has the molecular formula C50H95O10PSi and a molecular weight of 915.36 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate
PubChem CID87633615
Molecular FormulaC50H95O10PSi
Molecular Weight915.36 g/mol
Exact Mass914.64
IUPAC Name[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)O[C@H]1[C@H](OCC[C@@H](CCCCCCC)OC)[C@@H](OCCCCCCCCCC/C=C\CCCCCC)C(O/C=C/C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H95O10PSi/c1-12-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-41-53-48-47(54-42-37-44(52-9)36-34-32-20-18-13-2)46(60-61(51,56-39-15-4)57-40-16-5)45(59-49(48)55-38-14-3)43-58-62(10,11)50(6,7)8/h14-16,23-24,38,44-49H,4-5,12-13,17-22,25-37,39-43H2,1-3,6-11H3/b24-23-,38-14+/t44-,45-,46-,47+,48-,49?/m1/s1
InChIKeyDYDJKZBTJDKFSZ-JYMYDZDOSA-N
XLogP14.76
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds41
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.36
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate 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 [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate?
The IUPAC name of [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate (CID 87633615) is [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate.
What is the SMILES notation for [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate?
The canonical SMILES for [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate is C=CCOP(=O)(OCC=C)O[C@H]1[C@H](OCC[C@@H](CCCCCCC)OC)[C@@H](OCCCCCCCCCC/C=C\CCCCCC)C(O/C=C/C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate?
The InChIKey is DYDJKZBTJDKFSZ-JYMYDZDOSA-N. The full InChI is InChI=1S/C50H95O10PSi/c1-12-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-41-53-48-47(54-42-37-44(52-9)36-34-32-20-18-13-2)46(60-61(51,56-39-15-4)57-40-16-5)45(59-49(48)55-38-14-3)43-58-62(10,11)50(6,7)8/h14-16,23-24,38,44-49H,4-5,12-13,17-22,25-37,39-43H2,1-3,6-11H3/b24-23-,38-14+/t44-,45-,46-,47+,48-,49?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate?
[(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate has a molecular weight of 915.36 g/mol, XLogP of 14.76, 41 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(3R)-3-methoxydecoxy]-5-[(Z)-octadec-11-enoxy]-6-[(E)-prop-1-enoxy]oxan-3-yl] bis(prop-2-enyl) phosphate is sourced from PubChem (CID 87633615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).