dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium

C66H110N2O11P+ — CID 166710761

About dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium

dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium (PubChem CID 166710761) has the molecular formula C66H110N2O11P+ and a molecular weight of 1138.58 g/mol. Its IUPAC name is dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium.

Molecular Properties

• Compound Name: dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium
• PubChem CID: 166710761
• Molecular Formula: C66H110N2O11P+
• Molecular Weight: 1138.58 g/mol
• Exact Mass: 1137.78
• IUPAC Name: dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium
• SMILES: CC[C@H]1OC(=O)[C@H](C)C[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)CCCN(C(=O)CCCCCCC[P+](c2ccccc2-c2c(OC(C)C)cccc2OC(C)C)(C2CCCCC2)C2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
• InChI: InChI=1S/C66H110N2O11P/c1-14-57-66(11,74)61(71)49(9)68(40-29-39-65(10,73)62(46(6)42-47(7)63(72)78-57)79-64-60(70)53(67(12)13)43-48(8)77-64)58(69)38-24-16-15-17-27-41-80(50-30-20-18-21-31-50,51-32-22-19-23-33-51)56-37-26-25-34-52(56)59-54(75-44(2)3)35-28-36-55(59)76-45(4)5/h25-26,28,34-37,44-51,53,57,60-62,64,70-71,73-74H,14-24,27,29-33,38-43H2,1-13H3/q+1/t46-,47+,48+,49+,53-,57+,60+,61+,62+,64-,65+,66+/m0/s1
• InChIKey: KXPWAURMNVHMPU-ZBCQBSGVSA-N
• XLogP: 12.25
• TPSA: 167.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1138.58
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium?

The IUPAC name of dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium (CID 166710761) is dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium.

What is the SMILES notation for dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium?

The canonical SMILES for dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium is CC[C@H]1OC(=O)[C@H](C)C[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)CCCN(C(=O)CCCCCCC[P+](c2ccccc2-c2c(OC(C)C)cccc2OC(C)C)(C2CCCCC2)C2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O.

What is the InChIKey of dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium?

The InChIKey is KXPWAURMNVHMPU-ZBCQBSGVSA-N. The full InChI is InChI=1S/C66H110N2O11P/c1-14-57-66(11,74)61(71)49(9)68(40-29-39-65(10,73)62(46(6)42-47(7)63(72)78-57)79-64-60(70)53(67(12)13)43-48(8)77-64)58(69)38-24-16-15-17-27-41-80(50-30-20-18-21-31-50,51-32-22-19-23-33-51)56-37-26-25-34-52(56)59-54(75-44(2)3)35-28-36-55(59)76-45(4)5/h25-26,28,34-37,44-51,53,57,60-62,64,70-71,73-74H,14-24,27,29-33,38-43H2,1-13H3/q+1/t46-,47+,48+,49+,53-,57+,60+,61+,62+,64-,65+,66+/m0/s1.

What are the key properties of dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium?

dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium has a molecular weight of 1138.58 g/mol, XLogP of 12.25, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for dicyclohexyl-[8-[(2R,3S,4R,5R,10R,11R,12S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium is sourced from PubChem (CID 166710761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).