(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C130H238N22O25Si — CID 162043152

About (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 162043152) has the molecular formula C130H238N22O25Si and a molecular weight of 2537.55 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

• Compound Name: (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• PubChem CID: 162043152
• Molecular Formula: C130H238N22O25Si
• Molecular Weight: 2537.55 g/mol
• Exact Mass: 2535.78
• IUPAC Name: (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• SMILES: CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCNC)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1NC(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O
• InChI: InChI=1S/C67H123N11O13Si.C63H115N11O12/c1-30-47-62(86)72(21)46(17)61(85)73(22)49(34-38(4)5)58(82)71-52(41(10)11)65(89)74(23)48(33-37(2)3)57(81)68-44(15)56(80)69-45(16)60(84)75(24)50(35-39(6)7)63(87)76(25)51(36-40(8)9)64(88)77(26)53(42(12)13)66(90)78(27)54(59(83)70-47)55(43(14)31-32-79)91-92(28,29)67(18,19)20;1-26-44-59(82)68(19)43(17)58(81)69(20)46(30-35(4)5)55(78)67-50(38(10)11)62(85)70(21)45(29-34(2)3)54(77)65-42(16)49(75)33-41(15)57(80)71(22)47(31-36(6)7)60(83)72(23)48(32-37(8)9)61(84)73(24)51(39(12)13)63(86)74(25)52(56(79)66-44)53(76)40(14)27-28-64-18/h32,37-55H,30-31,33-36H2,1-29H3,(H,68,81)(H,69,80)(H,70,83)(H,71,82);34-48,50-53,64,76H,26-33H2,1-25H3,(H,65,77)(H,66,79)(H,67,78)/t43-,44-,45+,46-,47-,48-,49+,50-,51-,52-,53-,54-,55-;40-,41-,42-,43-,44-,45-,46+,47-,48-,50-,51-,52-,53-/m11/s1
• InChIKey: YXNUTZSZJDFLRK-RZJFOWFGSA-N
• XLogP: 8.70
• TPSA: 563.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2537.55
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 162043152) is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

What is the SMILES notation for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The canonical SMILES for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCNC)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1NC(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.

What is the InChIKey of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The InChIKey is YXNUTZSZJDFLRK-RZJFOWFGSA-N. The full InChI is InChI=1S/C67H123N11O13Si.C63H115N11O12/c1-30-47-62(86)72(21)46(17)61(85)73(22)49(34-38(4)5)58(82)71-52(41(10)11)65(89)74(23)48(33-37(2)3)57(81)68-44(15)56(80)69-45(16)60(84)75(24)50(35-39(6)7)63(87)76(25)51(36-40(8)9)64(88)77(26)53(42(12)13)66(90)78(27)54(59(83)70-47)55(43(14)31-32-79)91-92(28,29)67(18,19)20;1-26-44-59(82)68(19)43(17)58(81)69(20)46(30-35(4)5)55(78)67-50(38(10)11)62(85)70(21)45(29-34(2)3)54(77)65-42(16)49(75)33-41(15)57(80)71(22)47(31-36(6)7)60(83)72(23)48(32-37(8)9)61(84)73(24)51(39(12)13)63(86)74(25)52(56(79)66-44)53(76)40(14)27-28-64-18/h32,37-55H,30-31,33-36H2,1-29H3,(H,68,81)(H,69,80)(H,70,83)(H,71,82);34-48,50-53,64,76H,26-33H2,1-25H3,(H,65,77)(H,66,79)(H,67,78)/t43-,44-,45+,46-,47-,48-,49+,50-,51-,52-,53-,54-,55-;40-,41-,42-,43-,44-,45-,46+,47-,48-,50-,51-,52-,53-/m11/s1.

What are the key properties of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 2537.55 g/mol, XLogP of 8.70, 33 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 162043152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).