[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-pent-4-enoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl 2-chloranylethanoate

Systemtic Name: [(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-pent-4-enoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl 2-chloranylethanoate Openeye Name: [(2R,3R,4S,5S,6R)-3,4-dibenzyloxy-6-[(2S,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-pent-4-enoxy-tetrahydropyran-3-yl]oxy-5-[(2R,3S,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl 2-chloroacetate CAS Name: 2-chloroacetic acid [(2R,3R,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-2-pent-4-enoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-3,4-bis(phenylmethoxy)-5-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-pent-4-enoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-chloroacetate Traditional Name: 2-chloroacetic acid [(2R,3R,4S,5S,6R)-3,4-dibenzoxy-6-[(2S,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-pent-4-enoxy-tetrahydropyran-3-yl]oxy-5-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C88H95ClO17 MolecularWeight: 1460.1387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC5C(C(C(C(O5)COC(=O)CCl)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC8C(C(C(C(O8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C=CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COC(=O)CCl)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C88H95ClO17/c1-2-3-31-50-93-86-84(81(99-58-70-44-25-10-26-45-70)78(96-55-67-38-19-7-20-39-67)73(102-86)61-91-52-64-32-13-4-14-33-64)105-88-85(82(100-59-71-46-27-11-28-47-71)79(75(104-88)63-94-76(90)51-89)97-56-68-40-21-8-22-41-68)106-87-83(101-60-72-48-29-12-30-49-72)80(98-57-69-42-23-9-24-43-69)77(95-54-66-36-17-6-18-37-66)74(103-87)62-92-53-65-34-15-5-16-35-65/h2,4-30,32-49,73-75,77-88H,1,3,31,50-63H2/t73-,74-,75-,77-,78-,79-,80+,81+,82+,83+,84+,85+,86+,87-,88-/m1/s1