dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium

C68H115N3O9P+ — CID 166710824

IUPACdicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium
SMILESCC[C@H]1OC(=O)[C@H](C)C([C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C[C@@H](O[C@H]2C[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN(CCCCCC[P+](c2ccccc2-c2ccccc2N(C)C)(C2CCCCC2)C2CCCCC2)[C@H](C)C[C@]1(C)O
InChIInChI=1S/C68H115N3O9P/c1-15-61-67(8,75)44-48(3)71(38-28-16-17-29-39-81(53-30-20-18-21-31-53,54-32-22-19-23-33-54)60-37-27-25-35-56(60)55-34-24-26-36-58(55)70(12)13)46-47(2)43-66(7,74)62(79-63-41-52(69(10)11)40-49(4)77-63)42-57(50(5)65(73)80-61)59-45-68(9,76-14)64(72)51(6)78-59/h24-27,34-37,47-54,57,59,61-64,72,74-75H,15-23,28-33,38-46H2,1-14H3/q+1/t47-,48-,49-,50-,51+,52+,57?,59-,61-,62-,63+,64+,66-,67+,68-/m1/s1
InChIKeyBTVNLDHDEZHDMQ-SWDMYWJUSA-N
MW1149.65 g/mol
LogP12.66
Rot. Bonds18

About dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium

dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium (PubChem CID 166710824) has the molecular formula C68H115N3O9P+ and a molecular weight of 1149.65 g/mol. Its IUPAC name is dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium.

Molecular Properties

Compound Namedicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium
PubChem CID166710824
Molecular FormulaC68H115N3O9P+
Molecular Weight1149.65 g/mol
Exact Mass1148.84
IUPAC Namedicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium
SMILESCC[C@H]1OC(=O)[C@H](C)C([C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C[C@@H](O[C@H]2C[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN(CCCCCC[P+](c2ccccc2-c2ccccc2N(C)C)(C2CCCCC2)C2CCCCC2)[C@H](C)C[C@]1(C)O
InChIInChI=1S/C68H115N3O9P/c1-15-61-67(8,75)44-48(3)71(38-28-16-17-29-39-81(53-30-20-18-21-31-53,54-32-22-19-23-33-54)60-37-27-25-35-56(60)55-34-24-26-36-58(55)70(12)13)46-47(2)43-66(7,74)62(79-63-41-52(69(10)11)40-49(4)77-63)42-57(50(5)65(73)80-61)59-45-68(9,76-14)64(72)51(6)78-59/h24-27,34-37,47-54,57,59,61-64,72,74-75H,15-23,28-33,38-46H2,1-14H3/q+1/t47-,48-,49-,50-,51+,52+,57?,59-,61-,62-,63+,64+,66-,67+,68-/m1/s1
InChIKeyBTVNLDHDEZHDMQ-SWDMYWJUSA-N
XLogP12.66
TPSA133.63 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.65
LogP ≤ 512.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2R,3S,4R,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]heptyl-[2-[(dimethylamino)methyl]phenyl]-diphenylphosphanium
CID 166710834
(2R,3S,4R,5R,8R,10S,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-11-[6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-1-oxa-6-azacyclopentadecan-15-one
CID 167376467
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 142146040
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,5S,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 134843283
(2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,4S,6R)-4-[2-[3-[(1R,2S)-1-(4-cyclopentylsulfonylphenyl)-3-fluoro-1-methoxypropan-2-yl]-2-methyl-1H-triazol-5-yl]ethyl-methylamino]-6-methyloxan-2-yl]oxy-13-[(4R,6S)-4,6-dimethyloxan-2-yl]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 129313537
(2R,3S,4R,11S,13S,14R)-N-(3-chlorophenyl)sulfonyl-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,14-dimethyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide
CID 10284375
[11-[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-11-oxoundecyl]-triphenylphosphanium
CID 157262433
(3R,4S,5S,6R,7S,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6-[6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-oxacyclotetradecan-2-one
CID 167376477
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-(2-methoxyphenoxy)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 166520000
tricyclohexyl-[8-[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]-8-oxooctyl]phosphanium hexafluorophosphate
CID 175799296
(2R,3S,4R,11S,13S,14R)-N-(4-chlorophenyl)sulfonyl-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,14-dimethyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide
CID 10123651
(1R,2R,6S,7S,8R,9R,11R,15S)-8-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[[(2R,4S)-4-methoxy-4,6-dimethyloxan-2-yl]oxymethyl]-1,5,7,9,11,13,14-heptamethyl-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecane-4,17-dione
CID 143325219

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium?
The IUPAC name of dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium (CID 166710824) is dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium.
What is the SMILES notation for dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium?
The canonical SMILES for dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium is CC[C@H]1OC(=O)[C@H](C)C([C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C[C@@H](O[C@H]2C[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN(CCCCCC[P+](c2ccccc2-c2ccccc2N(C)C)(C2CCCCC2)C2CCCCC2)[C@H](C)C[C@]1(C)O.
What is the InChIKey of dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium?
The InChIKey is BTVNLDHDEZHDMQ-SWDMYWJUSA-N. The full InChI is InChI=1S/C68H115N3O9P/c1-15-61-67(8,75)44-48(3)71(38-28-16-17-29-39-81(53-30-20-18-21-31-53,54-32-22-19-23-33-54)60-37-27-25-35-56(60)55-34-24-26-36-58(55)70(12)13)46-47(2)43-66(7,74)62(79-63-41-52(69(10)11)40-49(4)77-63)42-57(50(5)65(73)80-61)59-45-68(9,76-14)64(72)51(6)78-59/h24-27,34-37,47-54,57,59,61-64,72,74-75H,15-23,28-33,38-46H2,1-14H3/q+1/t47-,48-,49-,50-,51+,52+,57?,59-,61-,62-,63+,64+,66-,67+,68-/m1/s1.
What are the key properties of dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium?
dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium has a molecular weight of 1149.65 g/mol, XLogP of 12.66, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[6-[(2R,3S,5R,8R,10R,11R,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]-3,5,8,10,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]hexyl]-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium is sourced from PubChem (CID 166710824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).