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

C63H116F6N2O13P2 — CID 175799296

About 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

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 (PubChem CID 175799296) has the molecular formula C63H116F6N2O13P2 and a molecular weight of 1285.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 175799296
• Molecular Formula: C63H116F6N2O13P2
• Molecular Weight: 1285.56 g/mol
• Exact Mass: 1284.79
• IUPAC Name: 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
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)CCCCCCC[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O.F[P-](F)(F)(F)(F)F
• InChI: InChI=1S/C63H116N2O13P.F6P/c1-14-51-63(10,72)56(68)45(6)65(52(66)35-27-16-15-17-28-36-79(47-29-21-18-22-30-47,48-31-23-19-24-32-48)49-33-25-20-26-34-49)40-41(2)38-61(8,71)58(78-60-54(67)50(64(11)12)37-42(3)74-60)43(4)55(44(5)59(70)76-51)77-53-39-62(9,73-13)57(69)46(7)75-53;1-7(2,3,4,5)6/h41-51,53-58,60,67-69,71-72H,14-40H2,1-13H3;/q+1;-1/t41-,42-,43+,44-,45-,46+,50+,51-,53+,54-,55+,56-,57+,58-,60+,61-,62-,63-;/m1./s1
• InChIKey: NUFREQRXILVZTC-KDSZLNFNSA-N
• XLogP: 13.54
• TPSA: 197.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.56
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)CCCCCCC[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O.F[P-](F)(F)(F)(F)F.

What is the InChIKey of 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?

The InChIKey is NUFREQRXILVZTC-KDSZLNFNSA-N. The full InChI is InChI=1S/C63H116N2O13P.F6P/c1-14-51-63(10,72)56(68)45(6)65(52(66)35-27-16-15-17-28-36-79(47-29-21-18-22-30-47,48-31-23-19-24-32-48)49-33-25-20-26-34-49)40-41(2)38-61(8,71)58(78-60-54(67)50(64(11)12)37-42(3)74-60)43(4)55(44(5)59(70)76-51)77-53-39-62(9,73-13)57(69)46(7)75-53;1-7(2,3,4,5)6/h41-51,53-58,60,67-69,71-72H,14-40H2,1-13H3;/q+1;-1/t41-,42-,43+,44-,45-,46+,50+,51-,53+,54-,55+,56-,57+,58-,60+,61-,62-,63-;/m1./s1.

What are the key properties of 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?

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 has a molecular weight of 1285.56 g/mol, XLogP of 13.54, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 175799296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).