N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide

C93H98F3NO17 — CID 88581613

IUPACN-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCCO[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](O[C@@H]2OC(COCc3ccccc3)[C@H](O[C@H]3OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)C3OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C93H98F3NO17/c94-93(95,96)92(98)97-52-31-53-102-89-86(107-61-74-46-25-8-26-47-74)84(105-59-72-42-21-6-22-43-72)81(78(110-89)65-100-55-68-34-13-2-14-35-68)113-91-88(109-63-76-50-29-10-30-51-76)85(106-60-73-44-23-7-24-45-73)82(79(112-91)66-101-56-69-36-15-3-16-37-69)114-90-87(108-62-75-48-27-9-28-49-75)83(104-58-71-40-19-5-20-41-71)80(103-57-70-38-17-4-18-39-70)77(111-90)64-99-54-67-32-11-1-12-33-67/h1-30,32-51,77-91H,31,52-66H2,(H,97,98)/t77?,78-,79?,80-,81+,82-,83+,84?,85+,86?,87?,88?,89+,90+,91-/m0/s1
InChIKeyWHZDXFTXABOPIL-FCKKEIISSA-N
MW1558.79 g/mol
LogP15.76
Rot. Bonds42

About N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide

N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide (PubChem CID 88581613) has the molecular formula C93H98F3NO17 and a molecular weight of 1558.79 g/mol. Its IUPAC name is N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
PubChem CID88581613
Molecular FormulaC93H98F3NO17
Molecular Weight1558.79 g/mol
Exact Mass1557.68
IUPAC NameN-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCCO[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](O[C@@H]2OC(COCc3ccccc3)[C@H](O[C@H]3OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)C3OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C93H98F3NO17/c94-93(95,96)92(98)97-52-31-53-102-89-86(107-61-74-46-25-8-26-47-74)84(105-59-72-42-21-6-22-43-72)81(78(110-89)65-100-55-68-34-13-2-14-35-68)113-91-88(109-63-76-50-29-10-30-51-76)85(106-60-73-44-23-7-24-45-73)82(79(112-91)66-101-56-69-36-15-3-16-37-69)114-90-87(108-62-75-48-27-9-28-49-75)83(104-58-71-40-19-5-20-41-71)80(103-57-70-38-17-4-18-39-70)77(111-90)64-99-54-67-32-11-1-12-33-67/h1-30,32-51,77-91H,31,52-66H2,(H,97,98)/t77?,78-,79?,80-,81+,82-,83+,84?,85+,86?,87?,88?,89+,90+,91-/m0/s1
InChIKeyWHZDXFTXABOPIL-FCKKEIISSA-N
XLogP15.76
TPSA176.78 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001558.79
LogP ≤ 515.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide 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

[3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 177487740
N-[3-[(2R,3R,4R,5S,6S)-3-[(2R,3R,4S,5R,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
CID 11815187
benzyl N-[3-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]carbamate
CID 11378127
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(phenylmethoxymethyl)-6-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-5-acetyloxy-3,4-dihydroxyoxan-2-yl]methyl acetate
CID 169230166
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(3-phenylpropoxy)oxolane
CID 10951628
dibenzyl 2-[3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]propanedioate
CID 58850430
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
[(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933
methyl 9-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]oxynonanoate
CID 101027340
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide (CID 88581613) is N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide is O=C(NCCCO[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](O[C@@H]2OC(COCc3ccccc3)[C@H](O[C@H]3OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)C3OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)C(F)(F)F.
What is the InChIKey of N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide?
The InChIKey is WHZDXFTXABOPIL-FCKKEIISSA-N. The full InChI is InChI=1S/C93H98F3NO17/c94-93(95,96)92(98)97-52-31-53-102-89-86(107-61-74-46-25-8-26-47-74)84(105-59-72-42-21-6-22-43-72)81(78(110-89)65-100-55-68-34-13-2-14-35-68)113-91-88(109-63-76-50-29-10-30-51-76)85(106-60-73-44-23-7-24-45-73)82(79(112-91)66-101-56-69-36-15-3-16-37-69)114-90-87(108-62-75-48-27-9-28-49-75)83(104-58-71-40-19-5-20-41-71)80(103-57-70-38-17-4-18-39-70)77(111-90)64-99-54-67-32-11-1-12-33-67/h1-30,32-51,77-91H,31,52-66H2,(H,97,98)/t77?,78-,79?,80-,81+,82-,83+,84?,85+,86?,87?,88?,89+,90+,91-/m0/s1.
What are the key properties of N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide?
N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide has a molecular weight of 1558.79 g/mol, XLogP of 15.76, 42 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5R,6S)-5-[(2S,4R,5S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,4R,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88581613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).