benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate

C199H209Br4N13O39Si4 — CID 137334125

IUPACbenzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@H]3OC(=O)[C@@H]2O[C@H]3O[C@H]2C(OCc3ccc(Br)cc3)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@H]4OC(=O)[C@@H]3O[C@H]4O[C@H]3[C@H](OCc4ccc(Br)cc4)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]4[C@H](OCc5ccccc5)[C@H]5OC(=O)[C@@H]4O[C@H]5O[C@H]4[C@H](OCc5ccc(Br)cc5)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]5[C@H](OCc6ccccc6)[C@H]6OC(=O)[C@@H]5O[C@H]6OCCCCCN(Cc5ccccc5)C(=O)OCc5ccccc5)O[C@@H]4CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OCc2ccc(Br)cc2)[C@@H]1OCc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C199H209Br4N13O39Si4/c1-196(2,3)256(143-74-40-19-41-75-143,144-76-42-20-43-77-144)233-122-151-159(223-121-136-90-99-137-72-56-57-73-138(137)110-136)163(224-116-132-91-100-139(200)101-92-132)155(208-212-204)187(237-151)249-172-168(229-113-128-64-32-15-33-65-128)180-192(253-176(172)184(218)242-180)246-161-153(124-235-258(198(7,8)9,147-82-48-23-49-83-147)148-84-50-24-51-85-148)239-189(157(210-214-206)165(161)226-118-134-95-104-141(202)105-96-134)251-174-170(231-115-130-68-36-17-37-69-130)182-194(255-178(174)186(220)244-182)247-162-154(125-236-259(199(10,11)12,149-86-52-25-53-87-149)150-88-54-26-55-89-150)240-190(158(211-215-207)166(162)227-119-135-97-106-142(203)107-98-135)250-173-169(230-114-129-66-34-16-35-67-129)181-193(254-177(173)185(219)243-181)245-160-152(123-234-257(197(4,5)6,145-78-44-21-45-79-145)146-80-46-22-47-81-146)238-188(156(209-213-205)164(160)225-117-133-93-102-140(201)103-94-133)248-171-167(228-112-127-62-30-14-31-63-127)179-191(252-175(171)183(217)241-179)222-109-59-27-58-108-216(111-126-60-28-13-29-61-126)195(221)232-120-131-70-38-18-39-71-131/h13-26,28-57,60-107,110,151-182,187-194H,27,58-59,108-109,111-125H2,1-12H3/t151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165?,166-,167+,168+,169+,170+,171+,172+,173+,174+,175-,176-,177-,178-,179-,180-,181-,182-,187-,188-,189-,190-,191-,192-,193-,194-/m1/s1
InChIKeyQJNPANKWEVYFNM-CMPXPZOKSA-N
MW3838.87 g/mol
LogP32.70
Rot. Bonds76

About benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate

benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate (PubChem CID 137334125) has the molecular formula C199H209Br4N13O39Si4 and a molecular weight of 3838.87 g/mol. Its IUPAC name is benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate.

Molecular Properties

Compound Namebenzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate
PubChem CID137334125
Molecular FormulaC199H209Br4N13O39Si4
Molecular Weight3838.87 g/mol
Exact Mass3832.06
IUPAC Namebenzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@H]3OC(=O)[C@@H]2O[C@H]3O[C@H]2C(OCc3ccc(Br)cc3)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@H]4OC(=O)[C@@H]3O[C@H]4O[C@H]3[C@H](OCc4ccc(Br)cc4)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]4[C@H](OCc5ccccc5)[C@H]5OC(=O)[C@@H]4O[C@H]5O[C@H]4[C@H](OCc5ccc(Br)cc5)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]5[C@H](OCc6ccccc6)[C@H]6OC(=O)[C@@H]5O[C@H]6OCCCCCN(Cc5ccccc5)C(=O)OCc5ccccc5)O[C@@H]4CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OCc2ccc(Br)cc2)[C@@H]1OCc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C199H209Br4N13O39Si4/c1-196(2,3)256(143-74-40-19-41-75-143,144-76-42-20-43-77-144)233-122-151-159(223-121-136-90-99-137-72-56-57-73-138(137)110-136)163(224-116-132-91-100-139(200)101-92-132)155(208-212-204)187(237-151)249-172-168(229-113-128-64-32-15-33-65-128)180-192(253-176(172)184(218)242-180)246-161-153(124-235-258(198(7,8)9,147-82-48-23-49-83-147)148-84-50-24-51-85-148)239-189(157(210-214-206)165(161)226-118-134-95-104-141(202)105-96-134)251-174-170(231-115-130-68-36-17-37-69-130)182-194(255-178(174)186(220)244-182)247-162-154(125-236-259(199(10,11)12,149-86-52-25-53-87-149)150-88-54-26-55-89-150)240-190(158(211-215-207)166(162)227-119-135-97-106-142(203)107-98-135)250-173-169(230-114-129-66-34-16-35-67-129)181-193(254-177(173)185(219)243-181)245-160-152(123-234-257(197(4,5)6,145-78-44-21-45-79-145)146-80-46-22-47-81-146)238-188(156(209-213-205)164(160)225-117-133-93-102-140(201)103-94-133)248-171-167(228-112-127-62-30-14-31-63-127)179-191(252-175(171)183(217)241-179)222-109-59-27-58-108-216(111-126-60-28-13-29-61-126)195(221)232-120-131-70-38-18-39-71-131/h13-26,28-57,60-107,110,151-182,187-194H,27,58-59,108-109,111-125H2,1-12H3/t151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165?,166-,167+,168+,169+,170+,171+,172+,173+,174+,175-,176-,177-,178-,179-,180-,181-,182-,187-,188-,189-,190-,191-,192-,193-,194-/m1/s1
InChIKeyQJNPANKWEVYFNM-CMPXPZOKSA-N
XLogP32.70
TPSA597.45 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds76
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003838.87
LogP ≤ 532.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate 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

[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-2-[[(1S,2R,3S,4R,5S)-4-benzoyloxy-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate
CID 52918401
[(2R,3R,4R,5S,6R)-3-azido-2-[[(1S,2R,3S,4R,5S)-4-benzoyloxy-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-4-yl] benzoate
CID 52918459
CID 165100180
CID 165100180
(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxy-6-[5-[benzyl-[[4-(hydroxymethyl)phenyl]methoxycarbonyl]amino]pentoxy]-5-hydroxy-4-phenylmethoxyoxane-2-carboxylic acid
CID 71813280
methyl (2S,3S,4R,5S,6R)-6-[[(4aR,6S,7R,8R,8aS)-7-azido-6-[5-[benzyl(phenylmethoxycarbonyl)amino]pentoxy]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-4,5-diazido-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2-carboxylate
CID 54577253
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-(naphthalen-2-ylmethoxy)oxan-4-ol
CID 70996996
[(3S,4S,6S)-5-azido-6-[5-[benzyl(phenylmethoxycarbonyl)amino]pentoxy]-3,4-dimethyloxan-2-yl]methyl acetate
CID 118909386
[(2R,3S,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-5-benzoyloxy-6-[5-[[4-(benzoyloxymethyl)phenyl]methoxycarbonyl-benzylamino]pentoxy]-4-phenylmethoxy-2-[tri(propan-2-yl)silyloxymethoxymethyl]oxan-3-yl]oxy-3-(4-oxopentanoyloxy)-4-phenylmethoxyoxan-2-yl]methyl benzoate
CID 71812359
N-[5-[(2S,3R,4S,5S,6R)-5-[[(2S,4aR,6R,7R,8R,8aR)-8-[(2S,3S,4S,5S,6S)-3-azido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-7-(iminoazaniumylideneamino)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(naphthalen-2-ylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentyl]-N-benzylcarbamate
CID 121396119
benzyl N-[[(2S,4R,5R)-3-azido-4-hydroxy-6-methyl-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxymethyl]-N-benzylcarbamate
CID 140927659
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442
[(3R,4R,6R)-5-azido-6-[6-[benzyl(phenylmethoxycarbonyl)amino]hexoxy]-3,4-dihydroxyoxan-2-yl]methyl benzoate
CID 121355222

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate?
The IUPAC name of benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate (CID 137334125) is benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate.
What is the SMILES notation for benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate?
The canonical SMILES for benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate is CC(C)(C)[Si](OC[C@H]1O[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@H]3OC(=O)[C@@H]2O[C@H]3O[C@H]2C(OCc3ccc(Br)cc3)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@H]4OC(=O)[C@@H]3O[C@H]4O[C@H]3[C@H](OCc4ccc(Br)cc4)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]4[C@H](OCc5ccccc5)[C@H]5OC(=O)[C@@H]4O[C@H]5O[C@H]4[C@H](OCc5ccc(Br)cc5)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]5[C@H](OCc6ccccc6)[C@H]6OC(=O)[C@@H]5O[C@H]6OCCCCCN(Cc5ccccc5)C(=O)OCc5ccccc5)O[C@@H]4CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OCc2ccc(Br)cc2)[C@@H]1OCc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate?
The InChIKey is QJNPANKWEVYFNM-CMPXPZOKSA-N. The full InChI is InChI=1S/C199H209Br4N13O39Si4/c1-196(2,3)256(143-74-40-19-41-75-143,144-76-42-20-43-77-144)233-122-151-159(223-121-136-90-99-137-72-56-57-73-138(137)110-136)163(224-116-132-91-100-139(200)101-92-132)155(208-212-204)187(237-151)249-172-168(229-113-128-64-32-15-33-65-128)180-192(253-176(172)184(218)242-180)246-161-153(124-235-258(198(7,8)9,147-82-48-23-49-83-147)148-84-50-24-51-85-148)239-189(157(210-214-206)165(161)226-118-134-95-104-141(202)105-96-134)251-174-170(231-115-130-68-36-17-37-69-130)182-194(255-178(174)186(220)244-182)247-162-154(125-236-259(199(10,11)12,149-86-52-25-53-87-149)150-88-54-26-55-89-150)240-190(158(211-215-207)166(162)227-119-135-97-106-142(203)107-98-135)250-173-169(230-114-129-66-34-16-35-67-129)181-193(254-177(173)185(219)243-181)245-160-152(123-234-257(197(4,5)6,145-78-44-21-45-79-145)146-80-46-22-47-81-146)238-188(156(209-213-205)164(160)225-117-133-93-102-140(201)103-94-133)248-171-167(228-112-127-62-30-14-31-63-127)179-191(252-175(171)183(217)241-179)222-109-59-27-58-108-216(111-126-60-28-13-29-61-126)195(221)232-120-131-70-38-18-39-71-131/h13-26,28-57,60-107,110,151-182,187-194H,27,58-59,108-109,111-125H2,1-12H3/t151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165?,166-,167+,168+,169+,170+,171+,172+,173+,174+,175-,176-,177-,178-,179-,180-,181-,182-,187-,188-,189-,190-,191-,192-,193-,194-/m1/s1.
What are the key properties of benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate?
benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate has a molecular weight of 3838.87 g/mol, XLogP of 32.70, 76 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-5-[[(1R,3R,4R,7S,8S)-7-[(2R,3R,4R,5S,6R)-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(naphthalen-2-ylmethoxy)oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-yl]oxy]pentyl]-N-benzylcarbamate is sourced from PubChem (CID 137334125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).