bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C143H254N20O32 — CID 158618350

About bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 158618350) has the molecular formula C143H254N20O32 and a molecular weight of 2765.71 g/mol. Its IUPAC name is bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

• Compound Name: bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• PubChem CID: 158618350
• Molecular Formula: C143H254N20O32
• Molecular Weight: 2765.71 g/mol
• Exact Mass: 2763.89
• IUPAC Name: bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• SMILES: CCCCC[C@@H](C)[C@@H](O)[C@@H]1NC(=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)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H]([C@@H](C)OCCCCN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC1=O.CCCC[C@@H](C)[C@@H](O)[C@@H]1NC(=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)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H]([C@@H](C)OCCCCN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC1=O.O=C=O.O=C=O
• InChI: InChI=1S/C71H128N10O14.C70H126N10O14.2CO2/c1-24-26-27-30-47(13)62(84)59-64(86)73-53(25-2)69(91)75(18)50(16)67(89)80(23)61(51(17)95-34-29-28-31-81-32-35-94-36-33-81)58(83)41-52(45(9)10)68(90)76(19)54(37-42(3)4)57(82)40-48(14)63(85)72-49(15)66(88)77(20)55(38-43(5)6)70(92)78(21)56(39-44(7)8)71(93)79(22)60(46(11)12)65(87)74-59;1-24-26-29-46(13)61(83)58-63(85)72-52(25-2)68(90)74(18)49(16)66(88)79(23)60(50(17)94-33-28-27-30-80-31-34-93-35-32-80)57(82)40-51(44(9)10)67(89)75(19)53(36-41(3)4)56(81)39-47(14)62(84)71-48(15)65(87)76(20)54(37-42(5)6)69(91)77(21)55(38-43(7)8)70(92)78(22)59(45(11)12)64(86)73-58;2*2-1-3/h42-56,59-62,84H,24-41H2,1-23H3,(H,72,85)(H,73,86)(H,74,87);41-55,58-61,83H,24-40H2,1-23H3,(H,71,84)(H,72,85)(H,73,86);;/t47-,48-,49-,50-,51-,52+,53+,54+,55+,56+,59+,60+,61+,62-;46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,58+,59+,60+,61-;;/m11../s1
• InChIKey: HXRGBGDEETVZCY-VUTQKCSXSA-N
• XLogP: 9.61
• TPSA: 638.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 43
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2765.71
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The IUPAC name of bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 158618350) is bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

What is the SMILES notation for bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The canonical SMILES for bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is CCCCC[C@@H](C)[C@@H](O)[C@@H]1NC(=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)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H]([C@@H](C)OCCCCN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC1=O.CCCC[C@@H](C)[C@@H](O)[C@@H]1NC(=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)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H]([C@@H](C)OCCCCN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC1=O.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The InChIKey is HXRGBGDEETVZCY-VUTQKCSXSA-N. The full InChI is InChI=1S/C71H128N10O14.C70H126N10O14.2CO2/c1-24-26-27-30-47(13)62(84)59-64(86)73-53(25-2)69(91)75(18)50(16)67(89)80(23)61(51(17)95-34-29-28-31-81-32-35-94-36-33-81)58(83)41-52(45(9)10)68(90)76(19)54(37-42(3)4)57(82)40-48(14)63(85)72-49(15)66(88)77(20)55(38-43(5)6)70(92)78(21)56(39-44(7)8)71(93)79(22)60(46(11)12)65(87)74-59;1-24-26-29-46(13)61(83)58-63(85)72-52(25-2)68(90)74(18)49(16)66(88)79(23)60(50(17)94-33-28-27-30-80-31-34-93-35-32-80)57(82)40-51(44(9)10)67(89)75(19)53(36-41(3)4)56(81)39-47(14)62(84)71-48(15)65(87)76(20)54(37-42(5)6)69(91)77(21)55(38-43(7)8)70(92)78(22)59(45(11)12)64(86)73-58;2*2-1-3/h42-56,59-62,84H,24-41H2,1-23H3,(H,72,85)(H,73,86)(H,74,87);41-55,58-61,83H,24-40H2,1-23H3,(H,71,84)(H,72,85)(H,73,86);;/t47-,48-,49-,50-,51-,52+,53+,54+,55+,56+,59+,60+,61+,62-;46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,58+,59+,60+,61-;;/m11../s1.

What are the key properties of bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 2765.71 g/mol, XLogP of 9.61, 43 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylheptyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6S,9S,12S,15S,18S,21R,24R,27S,30S,33S)-6-ethyl-9-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,3,4,13,16,19,21,24,28-nonamethyl-15,18,27-tris(2-methylpropyl)-33-[(1R)-1-(4-morpholin-4-ylbutoxy)ethyl]-12,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 158618350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).