[(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate

C124H108N18O33 — CID 175628183

About [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate

[(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate (PubChem CID 175628183) has the molecular formula C124H108N18O33 and a molecular weight of 2378.32 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate
• PubChem CID: 175628183
• Molecular Formula: C124H108N18O33
• Molecular Weight: 2378.32 g/mol
• Exact Mass: 2376.73
• IUPAC Name: [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate
• SMILES: [N-]=[N+]=NC[C@H]1O[C@H](OCc2cn(C[C@H]3O[C@H](OCc4cn(CCOCCn5cc(CO[C@H]6O[C@H](Cn7cc(CO[C@H]8O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)c9ccccc9)[C@H](OC(=O)c9ccccc9)[C@@H]8OC(=O)c8ccccc8)nn7)[C@@H](OC(=O)c7ccccc7)[C@H](OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)nn4)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)nn2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
• InChI: InChI=1S/C124H108N18O33/c125-133-127-65-93-97(164-109(143)77-37-13-1-14-38-77)101(168-113(147)81-45-21-5-22-46-81)105(172-117(151)85-53-29-9-30-54-85)121(160-93)156-75-91-69-141(137-131-91)71-95-99(166-111(145)79-41-17-3-18-42-79)103(170-115(149)83-49-25-7-26-50-83)107(174-119(153)87-57-33-11-34-58-87)123(162-95)158-73-89-67-139(135-129-89)61-63-155-64-62-140-68-90(130-136-140)74-159-124-108(175-120(154)88-59-35-12-36-60-88)104(171-116(150)84-51-27-8-28-52-84)100(167-112(146)80-43-19-4-20-44-80)96(163-124)72-142-70-92(132-138-142)76-157-122-106(173-118(152)86-55-31-10-32-56-86)102(169-114(148)82-47-23-6-24-48-82)98(94(161-122)66-128-134-126)165-110(144)78-39-15-2-16-40-78/h1-60,67-70,93-108,121-124H,61-66,71-76H2/t93-,94-,95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,121+,122+,123+,124+/m1/s1
• InChIKey: ORNWZIJUIHRPDS-QNZZJRTBSA-N
• XLogP: 14.46
• TPSA: 619.03 Ų
• H-Bond Acceptors: 47
• Rotatable Bonds: 50
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.32
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate?

The IUPAC name of [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate (CID 175628183) is [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate.

What is the SMILES notation for [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate?

The canonical SMILES for [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate is [N-]=[N+]=NC[C@H]1O[C@H](OCc2cn(C[C@H]3O[C@H](OCc4cn(CCOCCn5cc(CO[C@H]6O[C@H](Cn7cc(CO[C@H]8O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)c9ccccc9)[C@H](OC(=O)c9ccccc9)[C@@H]8OC(=O)c8ccccc8)nn7)[C@@H](OC(=O)c7ccccc7)[C@H](OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)nn4)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)nn2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.

What is the InChIKey of [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate?

The InChIKey is ORNWZIJUIHRPDS-QNZZJRTBSA-N. The full InChI is InChI=1S/C124H108N18O33/c125-133-127-65-93-97(164-109(143)77-37-13-1-14-38-77)101(168-113(147)81-45-21-5-22-46-81)105(172-117(151)85-53-29-9-30-54-85)121(160-93)156-75-91-69-141(137-131-91)71-95-99(166-111(145)79-41-17-3-18-42-79)103(170-115(149)83-49-25-7-26-50-83)107(174-119(153)87-57-33-11-34-58-87)123(162-95)158-73-89-67-139(135-129-89)61-63-155-64-62-140-68-90(130-136-140)74-159-124-108(175-120(154)88-59-35-12-36-60-88)104(171-116(150)84-51-27-8-28-52-84)100(167-112(146)80-43-19-4-20-44-80)96(163-124)72-142-70-92(132-138-142)76-157-122-106(173-118(152)86-55-31-10-32-56-86)102(169-114(148)82-47-23-6-24-48-82)98(94(161-122)66-128-134-126)165-110(144)78-39-15-2-16-40-78/h1-60,67-70,93-108,121-124H,61-66,71-76H2/t93-,94-,95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,121+,122+,123+,124+/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate?

[(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate has a molecular weight of 2378.32 g/mol, XLogP of 14.46, 50 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[[1-[[(2R,3R,4S,5S,6S)-6-[[1-[2-[2-[4-[[(2S,3S,4S,5R,6R)-6-[[4-[[(2S,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,4,5-tribenzoyloxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl]triazol-4-yl]methoxy]-4,5-dibenzoyloxyoxan-3-yl] benzoate is sourced from PubChem (CID 175628183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).