2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide

C110H168N2O11 — CID 89078643

IUPAC2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)NCC1O[C@H](O[C@H]2OC(CNC(=O)C(CCCCCCCCCCCCC)CCCCCCCCCCCCC)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C110H168N2O11/c1-5-9-13-17-21-25-29-33-37-41-63-79-97(80-64-42-38-34-30-26-22-18-14-10-6-2)107(113)111-83-99-101(115-85-91-67-51-45-52-68-91)103(117-87-93-71-55-47-56-72-93)105(119-89-95-75-59-49-60-76-95)109(121-99)123-110-106(120-90-96-77-61-50-62-78-96)104(118-88-94-73-57-48-58-74-94)102(116-86-92-69-53-46-54-70-92)100(122-110)84-112-108(114)98(81-65-43-39-35-31-27-23-19-15-11-7-3)82-66-44-40-36-32-28-24-20-16-12-8-4/h45-62,67-78,97-106,109-110H,5-44,63-66,79-90H2,1-4H3,(H,111,113)(H,112,114)/t99?,100?,101-,102-,103-,104-,105?,106?,109-,110-/m1/s1
InChIKeyXIYBZSLYOWIMAH-DRFZWYDYSA-N
MW1694.56 g/mol
LogP28.23
Rot. Bonds74

About 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide

2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide (PubChem CID 89078643) has the molecular formula C110H168N2O11 and a molecular weight of 1694.56 g/mol. Its IUPAC name is 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide.

Molecular Properties

Compound Name2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide
PubChem CID89078643
Molecular FormulaC110H168N2O11
Molecular Weight1694.56 g/mol
Exact Mass1693.26
IUPAC Name2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)NCC1O[C@H](O[C@H]2OC(CNC(=O)C(CCCCCCCCCCCCC)CCCCCCCCCCCCC)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C110H168N2O11/c1-5-9-13-17-21-25-29-33-37-41-63-79-97(80-64-42-38-34-30-26-22-18-14-10-6-2)107(113)111-83-99-101(115-85-91-67-51-45-52-68-91)103(117-87-93-71-55-47-56-72-93)105(119-89-95-75-59-49-60-76-95)109(121-99)123-110-106(120-90-96-77-61-50-62-78-96)104(118-88-94-73-57-48-58-74-94)102(116-86-92-69-53-46-54-70-92)100(122-110)84-112-108(114)98(81-65-43-39-35-31-27-23-19-15-11-7-3)82-66-44-40-36-32-28-24-20-16-12-8-4/h45-62,67-78,97-106,109-110H,5-44,63-66,79-90H2,1-4H3,(H,111,113)(H,112,114)/t99?,100?,101-,102-,103-,104-,105?,106?,109-,110-/m1/s1
InChIKeyXIYBZSLYOWIMAH-DRFZWYDYSA-N
XLogP28.23
TPSA141.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds74
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.56
LogP ≤ 528.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide with MolForge

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Related Compounds

[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,3R)-3-methoxy-2-tetradecyloctadecanoyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl (2R,3R)-3-methoxy-2-tetradecyloctadecanoate
CID 71546208
[(2R,3R,4S,5R,6S)-6-(acetamidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 101099088
[(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxypropyl] hexadecanoate
CID 25108319
2-tridecyl-N-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide
CID 89078644
N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 155415771
[(2R,3R,4S,5S)-5-[[(2R,3R,4S,5S)-3-[(2R,3S,4R,5R)-5-(hexadecanoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-5-methoxy-4-phenylmethoxyoxolan-2-yl]methoxy]-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl hexadecanoate
CID 46894371
1-[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]nonyl octadecanoate
CID 132937995
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
[(2R,3R,4S,5R)-5-octoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101138475
[(2R,3R,4S,5S,6R)-3-benzoyloxy-5-[(2R,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-pentatriacontan-18-yloxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate
CID 44604637
[(3R,4S,6R)-3-methyl-6-[(2R,5S)-3-methyl-6-(pentanoyloxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl hexanoate
CID 70905905
4-hexyl-1-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(4-hexyltriazol-1-yl)methyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]triazole
CID 11542678

Frequently Asked Questions

What is the IUPAC name of 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide?
The IUPAC name of 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide (CID 89078643) is 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide.
What is the SMILES notation for 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide?
The canonical SMILES for 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide is CCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)NCC1O[C@H](O[C@H]2OC(CNC(=O)C(CCCCCCCCCCCCC)CCCCCCCCCCCCC)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide?
The InChIKey is XIYBZSLYOWIMAH-DRFZWYDYSA-N. The full InChI is InChI=1S/C110H168N2O11/c1-5-9-13-17-21-25-29-33-37-41-63-79-97(80-64-42-38-34-30-26-22-18-14-10-6-2)107(113)111-83-99-101(115-85-91-67-51-45-52-68-91)103(117-87-93-71-55-47-56-72-93)105(119-89-95-75-59-49-60-76-95)109(121-99)123-110-106(120-90-96-77-61-50-62-78-96)104(118-88-94-73-57-48-58-74-94)102(116-86-92-69-53-46-54-70-92)100(122-110)84-112-108(114)98(81-65-43-39-35-31-27-23-19-15-11-7-3)82-66-44-40-36-32-28-24-20-16-12-8-4/h45-62,67-78,97-106,109-110H,5-44,63-66,79-90H2,1-4H3,(H,111,113)(H,112,114)/t99?,100?,101-,102-,103-,104-,105?,106?,109-,110-/m1/s1.
What are the key properties of 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide?
2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide has a molecular weight of 1694.56 g/mol, XLogP of 28.23, 74 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecyl-N-[[(3R,4R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-[(2-tridecylpentadecanoylamino)methyl]oxan-2-yl]oxyoxan-2-yl]methyl]pentadecanamide is sourced from PubChem (CID 89078643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).