methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate

C64H115N11O15 — CID 10975326

About methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate

methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate (PubChem CID 10975326) has the molecular formula C64H115N11O15 and a molecular weight of 1278.69 g/mol. Its IUPAC name is methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate.

Molecular Properties

• Compound Name: methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate
• PubChem CID: 10975326
• Molecular Formula: C64H115N11O15
• Molecular Weight: 1278.69 g/mol
• Exact Mass: 1277.86
• IUPAC Name: methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate
• SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCC(=O)OCOC)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)CN(C)C1=O
• InChI: InChI=1S/C64H115N11O15/c1-25-44-60(84)69(17)33-49(76)70(18)45(29-35(2)3)57(81)68-51(39(10)11)63(87)71(19)46(30-36(4)5)56(80)65-42(15)55(79)66-43(16)59(83)72(20)47(31-37(6)7)61(85)73(21)48(32-38(8)9)62(86)74(22)52(40(12)13)64(88)75(23)53(58(82)67-44)54(78)41(14)27-26-28-50(77)90-34-89-24/h35-48,51-54,78H,25-34H2,1-24H3,(H,65,80)(H,66,79)(H,67,82)(H,68,81)/t41-,42+,43-,44+,45+,46-,47+,48-,51+,52+,53+,54-/m1/s1
• InChIKey: BUZHQCPUZLJWLZ-STBUMOGZSA-N
• XLogP: 2.62
• TPSA: 314.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1278.69
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate?

The IUPAC name of methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate (CID 10975326) is methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate.

What is the SMILES notation for methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate?

The canonical SMILES for methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate is CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCC(=O)OCOC)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)CN(C)C1=O.

What is the InChIKey of methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate?

The InChIKey is BUZHQCPUZLJWLZ-STBUMOGZSA-N. The full InChI is InChI=1S/C64H115N11O15/c1-25-44-60(84)69(17)33-49(76)70(18)45(29-35(2)3)57(81)68-51(39(10)11)63(87)71(19)46(30-36(4)5)56(80)65-42(15)55(79)66-43(16)59(83)72(20)47(31-37(6)7)61(85)73(21)48(32-38(8)9)62(86)74(22)52(40(12)13)64(88)75(23)53(58(82)67-44)54(78)41(14)27-26-28-50(77)90-34-89-24/h35-48,51-54,78H,25-34H2,1-24H3,(H,65,80)(H,66,79)(H,67,82)(H,68,81)/t41-,42+,43-,44+,45+,46-,47+,48-,51+,52+,53+,54-/m1/s1.

What are the key properties of methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate?

methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate has a molecular weight of 1278.69 g/mol, XLogP of 2.62, 19 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methoxymethyl (5R,6R)-6-[(2S,5S,11S,14S,17R,20S,23R,26S,29R,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-6-hydroxy-5-methylhexanoate is sourced from PubChem (CID 10975326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).