[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate

C112H118F5N15O21Si — CID 102322676

IUPAC[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
SMILESC[C@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](O[C@H]4O[C@H](COCc5ccccc5)[C@H](OC(=O)C(F)(F)C(F)(F)F)[C@H](O[C@@H]5O[C@H](COCc6ccccc6)[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5OCc5ccccc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C112H118F5N15O21Si/c1-73-89(123-128-118)98(90(124-129-119)107(143-73)153-154(110(2,3)4,83-56-34-14-35-57-83)84-58-36-15-37-59-84)150-105-92(126-131-121)100(140-66-80-50-28-11-29-51-80)95(87(145-105)71-136-62-76-42-20-7-21-43-76)148-104-91(125-130-120)99(139-65-79-48-26-10-27-49-79)96(86(144-104)70-135-61-75-40-18-6-19-41-75)149-106-93(127-132-122)101(97(152-109(133)111(113,114)112(115,116)117)88(146-106)72-137-63-77-44-22-8-23-45-77)151-108-103(142-68-82-54-32-13-33-55-82)102(141-67-81-52-30-12-31-53-81)94(138-64-78-46-24-9-25-47-78)85(147-108)69-134-60-74-38-16-5-17-39-74/h5-59,73,85-108H,60-72H2,1-4H3/t73-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98+,99-,100-,101-,102+,103-,104-,105-,106-,107+,108+/m1/s1
InChIKeyJMDBQARLNOAYEQ-DYZMQOJWSA-N
MW2133.34 g/mol
LogP21.05
Rot. Bonds50

About [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate

[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 102322676) has the molecular formula C112H118F5N15O21Si and a molecular weight of 2133.34 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID102322676
Molecular FormulaC112H118F5N15O21Si
Molecular Weight2133.34 g/mol
Exact Mass2131.83
IUPAC Name[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
SMILESC[C@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](O[C@H]4O[C@H](COCc5ccccc5)[C@H](OC(=O)C(F)(F)C(F)(F)F)[C@H](O[C@@H]5O[C@H](COCc6ccccc6)[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5OCc5ccccc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C112H118F5N15O21Si/c1-73-89(123-128-118)98(90(124-129-119)107(143-73)153-154(110(2,3)4,83-56-34-14-35-57-83)84-58-36-15-37-59-84)150-105-92(126-131-121)100(140-66-80-50-28-11-29-51-80)95(87(145-105)71-136-62-76-42-20-7-21-43-76)148-104-91(125-130-120)99(139-65-79-48-26-10-27-49-79)96(86(144-104)70-135-61-75-40-18-6-19-41-75)149-106-93(127-132-122)101(97(152-109(133)111(113,114)112(115,116)117)88(146-106)72-137-63-77-44-22-8-23-45-77)151-108-103(142-68-82-54-32-13-33-55-82)102(141-67-81-52-30-12-31-53-81)94(138-64-78-46-24-9-25-47-78)85(147-108)69-134-60-74-38-16-5-17-39-74/h5-59,73,85-108H,60-72H2,1-4H3/t73-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98+,99-,100-,101-,102+,103-,104-,105-,106-,107+,108+/m1/s1
InChIKeyJMDBQARLNOAYEQ-DYZMQOJWSA-N
XLogP21.05
TPSA445.47 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.34
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate (CID 102322676) is [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate is C[C@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](O[C@H]4O[C@H](COCc5ccccc5)[C@H](OC(=O)C(F)(F)C(F)(F)F)[C@H](O[C@@H]5O[C@H](COCc6ccccc6)[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5OCc5ccccc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])[C@@H]1N=[N+]=[N-].
What is the InChIKey of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is JMDBQARLNOAYEQ-DYZMQOJWSA-N. The full InChI is InChI=1S/C112H118F5N15O21Si/c1-73-89(123-128-118)98(90(124-129-119)107(143-73)153-154(110(2,3)4,83-56-34-14-35-57-83)84-58-36-15-37-59-84)150-105-92(126-131-121)100(140-66-80-50-28-11-29-51-80)95(87(145-105)71-136-62-76-42-20-7-21-43-76)148-104-91(125-130-120)99(139-65-79-48-26-10-27-49-79)96(86(144-104)70-135-61-75-40-18-6-19-41-75)149-106-93(127-132-122)101(97(152-109(133)111(113,114)112(115,116)117)88(146-106)72-137-63-77-44-22-8-23-45-77)151-108-103(142-68-82-54-32-13-33-55-82)102(141-67-81-52-30-12-31-53-81)94(138-64-78-46-24-9-25-47-78)85(147-108)69-134-60-74-38-16-5-17-39-74/h5-59,73,85-108H,60-72H2,1-4H3/t73-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98+,99-,100-,101-,102+,103-,104-,105-,106-,107+,108+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 2133.34 g/mol, XLogP of 21.05, 50 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 102322676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).