benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate

C145H157Cl3N5O31P — CID 73054530

About benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate

benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate (PubChem CID 73054530) has the molecular formula C145H157Cl3N5O31P and a molecular weight of 2603.19 g/mol. Its IUPAC name is benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate
• PubChem CID: 73054530
• Molecular Formula: C145H157Cl3N5O31P
• Molecular Weight: 2603.19 g/mol
• Exact Mass: 2599.97
• IUPAC Name: benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate
• SMILES: [N-]=[N+]=NCCCCCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O[C@H]2O[C@H](COP(=O)(O)OCCNC(=O)OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](O[C@@H]2O[C@@H](COCc3ccccc3)[C@@H](O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2NC(=O)C(Cl)(Cl)Cl)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C145H157Cl3N5O31P/c146-145(147,148)143(154)152-123-129(165-89-109-61-29-7-30-62-109)127(183-141-135(171-95-115-73-41-13-42-74-115)130(166-90-110-63-31-8-32-64-110)124(162-86-106-55-23-4-24-56-106)119(180-141)99-159-84-104-51-19-2-20-52-104)120(100-160-85-105-53-21-3-22-54-105)177-138(123)182-128-121(179-139(161-81-48-16-47-79-151-153-149)134(170-94-114-71-39-12-40-72-114)133(128)169-93-113-69-37-11-38-70-113)101-173-140-137(132(168-92-112-67-35-10-36-68-112)125(163-87-107-57-25-5-26-58-107)118(178-140)98-158-83-103-49-17-1-18-50-103)184-142-136(172-96-116-75-43-14-44-76-116)131(167-91-111-65-33-9-34-66-111)126(164-88-108-59-27-6-28-60-108)122(181-142)102-176-185(156,157)175-82-80-150-144(155)174-97-117-77-45-15-46-78-117/h1-15,17-46,49-78,118-142H,16,47-48,79-102H2,(H,150,155)(H,152,154)(H,156,157)/t118-,119+,120-,121+,122+,123-,124+,125-,126+,127+,128+,129-,130-,131-,132+,133+,134-,135+,136-,137+,138-,139-,140+,141+,142+/m0/s1
• InChIKey: IWXYUONJDGZNAK-FTANBPQISA-N
• XLogP: 25.29
• TPSA: 393.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 71
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2603.19
LogP ≤ 5	25.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate?

The IUPAC name of benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate (CID 73054530) is benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate.

What is the SMILES notation for benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate?

The canonical SMILES for benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate is [N-]=[N+]=NCCCCCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O[C@H]2O[C@H](COP(=O)(O)OCCNC(=O)OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](O[C@@H]2O[C@@H](COCc3ccccc3)[C@@H](O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2NC(=O)C(Cl)(Cl)Cl)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate?

The InChIKey is IWXYUONJDGZNAK-FTANBPQISA-N. The full InChI is InChI=1S/C145H157Cl3N5O31P/c146-145(147,148)143(154)152-123-129(165-89-109-61-29-7-30-62-109)127(183-141-135(171-95-115-73-41-13-42-74-115)130(166-90-110-63-31-8-32-64-110)124(162-86-106-55-23-4-24-56-106)119(180-141)99-159-84-104-51-19-2-20-52-104)120(100-160-85-105-53-21-3-22-54-105)177-138(123)182-128-121(179-139(161-81-48-16-47-79-151-153-149)134(170-94-114-71-39-12-40-72-114)133(128)169-93-113-69-37-11-38-70-113)101-173-140-137(132(168-92-112-67-35-10-36-68-112)125(163-87-107-57-25-5-26-58-107)118(178-140)98-158-83-103-49-17-1-18-50-103)184-142-136(172-96-116-75-43-14-44-76-116)131(167-91-111-65-33-9-34-66-111)126(164-88-108-59-27-6-28-60-108)122(181-142)102-176-185(156,157)175-82-80-150-144(155)174-97-117-77-45-15-46-78-117/h1-15,17-46,49-78,118-142H,16,47-48,79-102H2,(H,150,155)(H,152,154)(H,156,157)/t118-,119+,120-,121+,122+,123-,124+,125-,126+,127+,128+,129-,130-,131-,132+,133+,134-,135+,136-,137+,138-,139-,140+,141+,142+/m0/s1.

What are the key properties of benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate?

benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate has a molecular weight of 2603.19 g/mol, XLogP of 25.29, 71 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[[(2R,3R,4S,5S,6R)-6-[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5S,6S)-6-(5-azidopentoxy)-4,5-bis(phenylmethoxy)-3-[(2S,3S,4S,5S,6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl]carbamate is sourced from PubChem (CID 73054530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).