benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

C113H142O38Si3 — CID 158456786

IUPACbenzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
SMILESC[C@H](O)C(=O)OCc1ccccc1.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C41H50O13Si.C34H44O13Si.C28H36O9Si.C10H12O3/c1-26(35(42)48-25-32-19-13-10-14-20-32)49-36(43)27(2)50-37(44)28(3)51-38(45)29(4)52-39(46)30(5)53-40(47)31(6)54-55(41(7,8)9,33-21-15-11-16-22-33)34-23-17-12-18-24-34;1-20(28(35)36)42-29(37)21(2)43-30(38)22(3)44-31(39)23(4)45-32(40)24(5)46-33(41)25(6)47-48(34(7,8)9,26-16-12-10-13-17-26)27-18-14-11-15-19-27;1-18(24(29)30)34-25(31)19(2)35-26(32)20(3)36-27(33)21(4)37-38(28(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;1-8(11)10(12)13-7-9-5-3-2-4-6-9/h10-24,26-31H,25H2,1-9H3;10-25H,1-9H3,(H,35,36);8-21H,1-7H3,(H,29,30);2-6,8,11H,7H2,1H3/t26-,27-,28-,29-,30-,31+;20-,21-,22-,23-,24-,25+;18-,19-,20-,21+;8-/m1110/s1
InChIKeyHEQZVRUCEVJCRS-BNJCZFDTSA-N
MW2192.60 g/mol
LogP10.99
Rot. Bonds46

About benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (PubChem CID 158456786) has the molecular formula C113H142O38Si3 and a molecular weight of 2192.60 g/mol. Its IUPAC name is benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
PubChem CID158456786
Molecular FormulaC113H142O38Si3
Molecular Weight2192.60 g/mol
Exact Mass2190.85
IUPAC Namebenzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
SMILESC[C@H](O)C(=O)OCc1ccccc1.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C41H50O13Si.C34H44O13Si.C28H36O9Si.C10H12O3/c1-26(35(42)48-25-32-19-13-10-14-20-32)49-36(43)27(2)50-37(44)28(3)51-38(45)29(4)52-39(46)30(5)53-40(47)31(6)54-55(41(7,8)9,33-21-15-11-16-22-33)34-23-17-12-18-24-34;1-20(28(35)36)42-29(37)21(2)43-30(38)22(3)44-31(39)23(4)45-32(40)24(5)46-33(41)25(6)47-48(34(7,8)9,26-16-12-10-13-17-26)27-18-14-11-15-19-27;1-18(24(29)30)34-25(31)19(2)35-26(32)20(3)36-27(33)21(4)37-38(28(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;1-8(11)10(12)13-7-9-5-3-2-4-6-9/h10-24,26-31H,25H2,1-9H3;10-25H,1-9H3,(H,35,36);8-21H,1-7H3,(H,29,30);2-6,8,11H,7H2,1H3/t26-,27-,28-,29-,30-,31+;20-,21-,22-,23-,24-,25+;18-,19-,20-,21+;8-/m1110/s1
InChIKeyHEQZVRUCEVJCRS-BNJCZFDTSA-N
XLogP10.99
TPSA517.02 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds46
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002192.60
LogP ≤ 510.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
The IUPAC name of benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (CID 158456786) is benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.
What is the SMILES notation for benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
The canonical SMILES for benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid is C[C@H](O)C(=O)OCc1ccccc1.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
The InChIKey is HEQZVRUCEVJCRS-BNJCZFDTSA-N. The full InChI is InChI=1S/C41H50O13Si.C34H44O13Si.C28H36O9Si.C10H12O3/c1-26(35(42)48-25-32-19-13-10-14-20-32)49-36(43)27(2)50-37(44)28(3)51-38(45)29(4)52-39(46)30(5)53-40(47)31(6)54-55(41(7,8)9,33-21-15-11-16-22-33)34-23-17-12-18-24-34;1-20(28(35)36)42-29(37)21(2)43-30(38)22(3)44-31(39)23(4)45-32(40)24(5)46-33(41)25(6)47-48(34(7,8)9,26-16-12-10-13-17-26)27-18-14-11-15-19-27;1-18(24(29)30)34-25(31)19(2)35-26(32)20(3)36-27(33)21(4)37-38(28(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;1-8(11)10(12)13-7-9-5-3-2-4-6-9/h10-24,26-31H,25H2,1-9H3;10-25H,1-9H3,(H,35,36);8-21H,1-7H3,(H,29,30);2-6,8,11H,7H2,1H3/t26-,27-,28-,29-,30-,31+;20-,21-,22-,23-,24-,25+;18-,19-,20-,21+;8-/m1110/s1.
What are the key properties of benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid has a molecular weight of 2192.60 g/mol, XLogP of 10.99, 46 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid is sourced from PubChem (CID 158456786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).