[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate

C183H198Br2N12O39Si4 — CID 52918399

IUPAC[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4O[C@@H](COC(C)=O)[C@@H](O[C@H]5O[C@H](CO[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)[C@@H](O[C@@H]6O[C@@H](COC(C)=O)[C@@H](O[C@H]7O[C@H](CO[Si](c8ccccc8)(c8ccccc8)C(C)(C)C)[C@@H](O)[C@H](OCc8ccc(Br)cc8)[C@H]7N=[N+]=[N-])[C@H](OCc7ccccc7)[C@H]6OC(=O)c6ccccc6)[C@H](OCc6ccc(Br)cc6)[C@H]5N=[N+]=[N-])[C@H](OCc5ccccc5)[C@H]4OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C183H198Br2N12O39Si4/c1-118(198)207-111-142-156(231-174-148(190-194-186)159(210-109-125-97-101-131(184)102-98-125)152(201)141(220-174)114-216-237(180(4,5)6,133-81-49-25-50-82-133)134-83-51-26-52-84-134)163(213-106-122-67-35-18-36-68-122)166(228-170(203)128-75-43-22-44-76-128)178(224-142)235-154-146(116-218-239(182(10,11)12,137-89-57-29-58-90-137)138-91-59-30-60-92-138)222-175(150(192-196-188)161(154)212-110-126-99-103-132(185)104-100-126)232-157-143(112-208-119(2)199)226-179(168(230-172(205)130-79-47-24-48-80-130)164(157)214-107-123-69-37-19-38-70-123)236-155-147(117-219-240(183(13,14)15,139-93-61-31-62-94-139)140-95-63-32-64-96-140)223-176(151(193-197-189)162(155)227-169(202)127-73-41-21-42-74-127)233-158-144(113-209-120(3)200)225-177(167(229-171(204)129-77-45-23-46-78-129)165(158)215-108-124-71-39-20-40-72-124)234-153-145(221-173(206-16)149(191-195-187)160(153)211-105-121-65-33-17-34-66-121)115-217-238(181(7,8)9,135-85-53-27-54-86-135)136-87-55-28-56-88-136/h17-104,141-168,173-179,201H,105-117H2,1-16H3/t141-,142+,143+,144+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163+,164+,165+,166-,167-,168-,173+,174-,175-,176-,177+,178+,179+/m1/s1
InChIKeyIKCHCGDTAFKKRH-YNHKEDASSA-N
MW3461.79 g/mol
LogP28.03
Rot. Bonds69

About [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate

[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate (PubChem CID 52918399) has the molecular formula C183H198Br2N12O39Si4 and a molecular weight of 3461.79 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate
PubChem CID52918399
Molecular FormulaC183H198Br2N12O39Si4
Molecular Weight3461.79 g/mol
Exact Mass3457.13
IUPAC Name[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4O[C@@H](COC(C)=O)[C@@H](O[C@H]5O[C@H](CO[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)[C@@H](O[C@@H]6O[C@@H](COC(C)=O)[C@@H](O[C@H]7O[C@H](CO[Si](c8ccccc8)(c8ccccc8)C(C)(C)C)[C@@H](O)[C@H](OCc8ccc(Br)cc8)[C@H]7N=[N+]=[N-])[C@H](OCc7ccccc7)[C@H]6OC(=O)c6ccccc6)[C@H](OCc6ccc(Br)cc6)[C@H]5N=[N+]=[N-])[C@H](OCc5ccccc5)[C@H]4OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C183H198Br2N12O39Si4/c1-118(198)207-111-142-156(231-174-148(190-194-186)159(210-109-125-97-101-131(184)102-98-125)152(201)141(220-174)114-216-237(180(4,5)6,133-81-49-25-50-82-133)134-83-51-26-52-84-134)163(213-106-122-67-35-18-36-68-122)166(228-170(203)128-75-43-22-44-76-128)178(224-142)235-154-146(116-218-239(182(10,11)12,137-89-57-29-58-90-137)138-91-59-30-60-92-138)222-175(150(192-196-188)161(154)212-110-126-99-103-132(185)104-100-126)232-157-143(112-208-119(2)199)226-179(168(230-172(205)130-79-47-24-48-80-130)164(157)214-107-123-69-37-19-38-70-123)236-155-147(117-219-240(183(13,14)15,139-93-61-31-62-94-139)140-95-63-32-64-96-140)223-176(151(193-197-189)162(155)227-169(202)127-73-41-21-42-74-127)233-158-144(113-209-120(3)200)225-177(167(229-171(204)129-77-45-23-46-78-129)165(158)215-108-124-71-39-20-40-72-124)234-153-145(221-173(206-16)149(191-195-187)160(153)211-105-121-65-33-17-34-66-121)115-217-238(181(7,8)9,135-85-53-27-54-86-135)136-87-55-28-56-88-136/h17-104,141-168,173-179,201H,105-117H2,1-16H3/t141-,142+,143+,144+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163+,164+,165+,166-,167-,168-,173+,174-,175-,176-,177+,178+,179+/m1/s1
InChIKeyIKCHCGDTAFKKRH-YNHKEDASSA-N
XLogP28.03
TPSA620.89 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds69
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003461.79
LogP ≤ 528.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate?
The IUPAC name of [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate (CID 52918399) is [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate?
The canonical SMILES for [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4O[C@@H](COC(C)=O)[C@@H](O[C@H]5O[C@H](CO[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)[C@@H](O[C@@H]6O[C@@H](COC(C)=O)[C@@H](O[C@H]7O[C@H](CO[Si](c8ccccc8)(c8ccccc8)C(C)(C)C)[C@@H](O)[C@H](OCc8ccc(Br)cc8)[C@H]7N=[N+]=[N-])[C@H](OCc7ccccc7)[C@H]6OC(=O)c6ccccc6)[C@H](OCc6ccc(Br)cc6)[C@H]5N=[N+]=[N-])[C@H](OCc5ccccc5)[C@H]4OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-].
What is the InChIKey of [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate?
The InChIKey is IKCHCGDTAFKKRH-YNHKEDASSA-N. The full InChI is InChI=1S/C183H198Br2N12O39Si4/c1-118(198)207-111-142-156(231-174-148(190-194-186)159(210-109-125-97-101-131(184)102-98-125)152(201)141(220-174)114-216-237(180(4,5)6,133-81-49-25-50-82-133)134-83-51-26-52-84-134)163(213-106-122-67-35-18-36-68-122)166(228-170(203)128-75-43-22-44-76-128)178(224-142)235-154-146(116-218-239(182(10,11)12,137-89-57-29-58-90-137)138-91-59-30-60-92-138)222-175(150(192-196-188)161(154)212-110-126-99-103-132(185)104-100-126)232-157-143(112-208-119(2)199)226-179(168(230-172(205)130-79-47-24-48-80-130)164(157)214-107-123-69-37-19-38-70-123)236-155-147(117-219-240(183(13,14)15,139-93-61-31-62-94-139)140-95-63-32-64-96-140)223-176(151(193-197-189)162(155)227-169(202)127-73-41-21-42-74-127)233-158-144(113-209-120(3)200)225-177(167(229-171(204)129-77-45-23-46-78-129)165(158)215-108-124-71-39-20-40-72-124)234-153-145(221-173(206-16)149(191-195-187)160(153)211-105-121-65-33-17-34-66-121)115-217-238(181(7,8)9,135-85-53-27-54-86-135)136-87-55-28-56-88-136/h17-104,141-168,173-179,201H,105-117H2,1-16H3/t141-,142+,143+,144+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163+,164+,165+,166-,167-,168-,173+,174-,175-,176-,177+,178+,179+/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate?
[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate has a molecular weight of 3461.79 g/mol, XLogP of 28.03, 69 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-5-[(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-hydroxyoxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-[(4-bromophenyl)methoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]oxy-3-benzoyloxy-4-phenylmethoxyoxan-2-yl]oxy-2-[(2S,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxan-3-yl]oxy-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] benzoate is sourced from PubChem (CID 52918399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).