benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate

C53H86O13Si — CID 135023645

IUPACbenzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
SMILESC[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)OCc2ccccc2)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@H](C)OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)OC(=O)[C@H](C)[C@H]3CC[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O3)O2)O1
InChIInChI=1S/C53H86O13Si/c1-32(27-41-19-23-45(62-41)36(5)49(54)58-31-40-17-15-14-16-18-40)59-50(55)37(6)46-24-20-42(63-46)28-33(2)60-51(56)38(7)47-25-21-43(64-47)29-34(3)61-52(57)39(8)48-26-22-44(65-48)30-35(4)66-67(12,13)53(9,10)11/h14-18,32-39,41-48H,19-31H2,1-13H3/t32-,33+,34-,35+,36+,37-,38+,39-,41-,42+,43-,44+,45+,46-,47+,48-/m1/s1
InChIKeyLQMLNDDFNMWBJL-NYLBLLJESA-N
MW959.34 g/mol
LogP10.23
Rot. Bonds23

About benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate

benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate (PubChem CID 135023645) has the molecular formula C53H86O13Si and a molecular weight of 959.34 g/mol. Its IUPAC name is benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
PubChem CID135023645
Molecular FormulaC53H86O13Si
Molecular Weight959.34 g/mol
Exact Mass958.58
IUPAC Namebenzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
SMILESC[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)OCc2ccccc2)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@H](C)OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)OC(=O)[C@H](C)[C@H]3CC[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O3)O2)O1
InChIInChI=1S/C53H86O13Si/c1-32(27-41-19-23-45(62-41)36(5)49(54)58-31-40-17-15-14-16-18-40)59-50(55)37(6)46-24-20-42(63-46)28-33(2)60-51(56)38(7)47-25-21-43(64-47)29-34(3)61-52(57)39(8)48-26-22-44(65-48)30-35(4)66-67(12,13)53(9,10)11/h14-18,32-39,41-48H,19-31H2,1-13H3/t32-,33+,34-,35+,36+,37-,38+,39-,41-,42+,43-,44+,45+,46-,47+,48-/m1/s1
InChIKeyLQMLNDDFNMWBJL-NYLBLLJESA-N
XLogP10.23
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.34
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

benzyl (2S)-2-[(2S,5R)-5-(3,3,3-trifluoro-2-hydroxypropyl)oxolan-2-yl]propanoate
CID 134838010
benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate
CID 177438704
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
CID 11620367
(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 135023644
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-hydroxy-2-phenylacetyl]oxypropyl]oxolan-2-yl]propanoate
CID 11175534
[(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate
CID 56933728
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 51693103
benzyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-3-oxohexanoate
CID 59211797
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?
The IUPAC name of benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate (CID 135023645) is benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate.
What is the SMILES notation for benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?
The canonical SMILES for benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate is C[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)OCc2ccccc2)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@H](C)OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)OC(=O)[C@H](C)[C@H]3CC[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O3)O2)O1.
What is the InChIKey of benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?
The InChIKey is LQMLNDDFNMWBJL-NYLBLLJESA-N. The full InChI is InChI=1S/C53H86O13Si/c1-32(27-41-19-23-45(62-41)36(5)49(54)58-31-40-17-15-14-16-18-40)59-50(55)37(6)46-24-20-42(63-46)28-33(2)60-51(56)38(7)47-25-21-43(64-47)29-34(3)61-52(57)39(8)48-26-22-44(65-48)30-35(4)66-67(12,13)53(9,10)11/h14-18,32-39,41-48H,19-31H2,1-13H3/t32-,33+,34-,35+,36+,37-,38+,39-,41-,42+,43-,44+,45+,46-,47+,48-/m1/s1.
What are the key properties of benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate?
benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate has a molecular weight of 959.34 g/mol, XLogP of 10.23, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate is sourced from PubChem (CID 135023645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).