(1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one

C169H182Br2N12O37Si4 — CID 52918400

IUPAC(1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2O[C@H]3C(=O)O[C@@H]2[C@@H](OCc2ccccc2)[C@@H]3O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[C@@H]3O[C@H]4C(=O)O[C@@H]3[C@@H](OCc3ccccc3)[C@@H]4O[C@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4O[C@H]5C(=O)O[C@@H]4[C@@H](OCc4ccccc4)[C@@H]5O[C@H]4O[C@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@@H](O[C@@H]5O[C@H]6C(=O)O[C@@H]5[C@@H](OCc5ccccc5)[C@@H]6OCc5ccccc5)[C@H](OCc5ccc(Br)cc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccc(Br)cc4)[C@H]3N=[N+]=[N-])[C@H](O)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C169H182Br2N12O37Si4/c1-166(2,3)221(114-68-40-20-41-69-114,115-70-42-21-43-71-115)198-100-122-131(130(184)126(176-180-172)159(203-122)214-143-140(195-95-107-62-34-17-35-63-107)152-164(219-147(143)155(186)208-152)211-132-123(202-158(189-13)127(177-181-173)135(132)190-92-104-56-28-14-29-57-104)101-199-222(167(4,5)6,116-72-44-22-45-73-116)117-74-46-23-47-75-117)210-162-151-141(196-96-108-64-36-18-37-65-108)144(148(218-162)156(187)207-151)215-160-129(179-183-175)137(192-99-111-86-90-113(171)91-87-111)134(125(205-160)103-201-224(169(10,11)12,120-80-52-26-53-81-120)121-82-54-27-55-83-121)213-165-153-142(197-97-109-66-38-19-39-67-109)145(149(220-165)157(188)209-153)216-161-128(178-182-174)136(191-98-110-84-88-112(170)89-85-110)133(124(204-161)102-200-223(168(7,8)9,118-76-48-24-49-77-118)119-78-50-25-51-79-119)212-163-150-139(194-94-106-60-32-16-33-61-106)138(146(217-163)154(185)206-150)193-93-105-58-30-15-31-59-105/h14-91,122-153,158-165,184H,92-103H2,1-13H3/t122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+,139+,140+,141+,142+,143+,144+,145+,146-,147-,148-,149-,150-,151-,152-,153-,158+,159-,160-,161-,162-,163-,164-,165-/m1/s1
InChIKeyQQYLGLGZQPTIEI-SMPSETHUSA-N
MW3245.51 g/mol
LogP23.42
Rot. Bonds63

About (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one

(1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one (PubChem CID 52918400) has the molecular formula C169H182Br2N12O37Si4 and a molecular weight of 3245.51 g/mol. Its IUPAC name is (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name(1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one
PubChem CID52918400
Molecular FormulaC169H182Br2N12O37Si4
Molecular Weight3245.51 g/mol
Exact Mass3241.02
IUPAC Name(1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2O[C@H]3C(=O)O[C@@H]2[C@@H](OCc2ccccc2)[C@@H]3O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[C@@H]3O[C@H]4C(=O)O[C@@H]3[C@@H](OCc3ccccc3)[C@@H]4O[C@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4O[C@H]5C(=O)O[C@@H]4[C@@H](OCc4ccccc4)[C@@H]5O[C@H]4O[C@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@@H](O[C@@H]5O[C@H]6C(=O)O[C@@H]5[C@@H](OCc5ccccc5)[C@@H]6OCc5ccccc5)[C@H](OCc5ccc(Br)cc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccc(Br)cc4)[C@H]3N=[N+]=[N-])[C@H](O)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C169H182Br2N12O37Si4/c1-166(2,3)221(114-68-40-20-41-69-114,115-70-42-21-43-71-115)198-100-122-131(130(184)126(176-180-172)159(203-122)214-143-140(195-95-107-62-34-17-35-63-107)152-164(219-147(143)155(186)208-152)211-132-123(202-158(189-13)127(177-181-173)135(132)190-92-104-56-28-14-29-57-104)101-199-222(167(4,5)6,116-72-44-22-45-73-116)117-74-46-23-47-75-117)210-162-151-141(196-96-108-64-36-18-37-65-108)144(148(218-162)156(187)207-151)215-160-129(179-183-175)137(192-99-111-86-90-113(171)91-87-111)134(125(205-160)103-201-224(169(10,11)12,120-80-52-26-53-81-120)121-82-54-27-55-83-121)213-165-153-142(197-97-109-66-38-19-39-67-109)145(149(220-165)157(188)209-153)216-161-128(178-182-174)136(191-98-110-84-88-112(170)89-85-110)133(124(204-161)102-200-223(168(7,8)9,118-76-48-24-49-77-118)119-78-50-25-51-79-119)212-163-150-139(194-94-106-60-32-16-33-61-106)138(146(217-163)154(185)206-150)193-93-105-58-30-15-31-59-105/h14-91,122-153,158-165,184H,92-103H2,1-13H3/t122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+,139+,140+,141+,142+,143+,144+,145+,146-,147-,148-,149-,150-,151-,152-,153-,158+,159-,160-,161-,162-,163-,164-,165-/m1/s1
InChIKeyQQYLGLGZQPTIEI-SMPSETHUSA-N
XLogP23.42
TPSA578.91 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds63
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003245.51
LogP ≤ 523.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one?
The IUPAC name of (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one (CID 52918400) is (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one?
The canonical SMILES for (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2O[C@H]3C(=O)O[C@@H]2[C@@H](OCc2ccccc2)[C@@H]3O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[C@@H]3O[C@H]4C(=O)O[C@@H]3[C@@H](OCc3ccccc3)[C@@H]4O[C@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4O[C@H]5C(=O)O[C@@H]4[C@@H](OCc4ccccc4)[C@@H]5O[C@H]4O[C@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)[C@@H](O[C@@H]5O[C@H]6C(=O)O[C@@H]5[C@@H](OCc5ccccc5)[C@@H]6OCc5ccccc5)[C@H](OCc5ccc(Br)cc5)[C@H]4N=[N+]=[N-])[C@H](OCc4ccc(Br)cc4)[C@H]3N=[N+]=[N-])[C@H](O)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-].
What is the InChIKey of (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one?
The InChIKey is QQYLGLGZQPTIEI-SMPSETHUSA-N. The full InChI is InChI=1S/C169H182Br2N12O37Si4/c1-166(2,3)221(114-68-40-20-41-69-114,115-70-42-21-43-71-115)198-100-122-131(130(184)126(176-180-172)159(203-122)214-143-140(195-95-107-62-34-17-35-63-107)152-164(219-147(143)155(186)208-152)211-132-123(202-158(189-13)127(177-181-173)135(132)190-92-104-56-28-14-29-57-104)101-199-222(167(4,5)6,116-72-44-22-45-73-116)117-74-46-23-47-75-117)210-162-151-141(196-96-108-64-36-18-37-65-108)144(148(218-162)156(187)207-151)215-160-129(179-183-175)137(192-99-111-86-90-113(171)91-87-111)134(125(205-160)103-201-224(169(10,11)12,120-80-52-26-53-81-120)121-82-54-27-55-83-121)213-165-153-142(197-97-109-66-38-19-39-67-109)145(149(220-165)157(188)209-153)216-161-128(178-182-174)136(191-98-110-84-88-112(170)89-85-110)133(124(204-161)102-200-223(168(7,8)9,118-76-48-24-49-77-118)119-78-50-25-51-79-119)212-163-150-139(194-94-106-60-32-16-33-61-106)138(146(217-163)154(185)206-150)193-93-105-58-30-15-31-59-105/h14-91,122-153,158-165,184H,92-103H2,1-13H3/t122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+,139+,140+,141+,142+,143+,144+,145+,146-,147-,148-,149-,150-,151-,152-,153-,158+,159-,160-,161-,162-,163-,164-,165-/m1/s1.
What are the key properties of (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one?
(1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one has a molecular weight of 3245.51 g/mol, XLogP of 23.42, 63 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,7S,8S)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6R)-5-azido-6-[[(1R,3R,4R,7S,8S)-3-[(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-6-oxo-8-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-7-yl]oxy]-4-[(4-bromophenyl)methoxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 52918400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).