[(2R,3R,4R,5R,6S)-3-[(2-chloranylphenoxy)-oxidanyl-phosphoryl]oxy-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl 2-cyanoethyl [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-3-yl] phosphate

Systemtic Name: [(2R,3R,4R,5R,6S)-3-[(2-chloranylphenoxy)-oxidanyl-phosphoryl]oxy-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl 2-cyanoethyl [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-3-yl] phosphate Openeye Name: [(2R,3R,4R,5R,6S)-4,5-bis[2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethoxy]-3-[(2-chlorophenoxy)-hydroxy-phosphoryl]oxy-6-phenoxy-tetrahydropyran-2-yl]methyl [(2R,3R,4R,5R,6S)-4,5-bis[2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3-yl] 2-cyanoethyl phosphate CAS Name: phosphoric acid [(2R,3R,4R,5R,6S)-3-[(2-chlorophenoxy)-hydroxyphosphoryl]oxy-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]-2-oxanyl]methyl 2-cyanoethyl [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-3-[(2-chlorophenoxy)-hydroxyphosphoryl]oxy-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl 2-cyanoethyl [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenoxy-4,5-bis[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-3-yl] phosphate Traditional Name: phosphoric acid [(2R,3R,4R,5R,6S)-4,5-bis[2-[2-[2-(2-benzoxyethoxy)ethoxy]ethoxy]ethoxy]-3-[(2-chlorophenoxy)-hydroxy-phosphoryl]oxy-6-phenoxy-tetrahydropyran-2-yl]methyl [(2R,3R,4R,5R,6S)-4,5-bis[2-[2-[2-(2-benzoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylol-6-phenoxy-tetrahydropyran-3-yl] 2-cyanoethyl ester Formula: C93H126ClNO33P2 MolecularWeight: 1883.382962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCOCCOCCOCCOC2C(C(OC(C2OCCOCCOCCOCCOCC3=CC=CC=C3)OC4=CC=CC=C4)CO)OP(=O)(OCCC#N)OCC5C(C(C(C(O5)OC6=CC=CC=C6)OCCOCCOCCOCCOCC7=CC=CC=C7)OCCOCCOCCOCCOCC8=CC=CC=C8)OP(=O)(O)OC9=CC=CC=C9Cl

Isomeric SMILES

C1=CC=C(C=C1)COCCOCCOCCOCCO[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OCCOCCOCCOCCOCC3=CC=CC=C3)OC4=CC=CC=C4)CO)OP(=O)(OCCC#N)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC6=CC=CC=C6)OCCOCCOCCOCCOCC7=CC=CC=C7)OCCOCCOCCOCCOCC8=CC=CC=C8)OP(=O)(O)OC9=CC=CC=C9Cl

InChI

InChI=1S/C93H126ClNO33P2/c94-82-34-19-20-35-83(82)126-129(97,98)127-87-85(125-93(123-81-32-17-6-18-33-81)91(119-69-65-111-53-49-103-41-45-107-57-61-115-74-79-28-13-4-14-29-79)89(87)117-67-63-109-51-47-101-39-43-105-55-59-113-72-77-24-9-2-10-25-77)75-121-130(99,120-37-21-36-95)128-86-84(70-96)124-92(122-80-30-15-5-16-31-80)90(118-68-64-110-52-48-102-40-44-106-56-60-114-73-78-26-11-3-12-27-78)88(86)116-66-62-108-50-46-100-38-42-104-54-58-112-71-76-22-7-1-8-23-76/h1-20,22-35,84-93,96H,21,37-75H2,(H,97,98)/t84-,85-,86-,87-,88+,89+,90-,91-,92-,93-,130?/m1/s1