[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one

C407H328N14O117Si — CID 159918474

IUPAC[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one
SMILESCC(=O)COC1CCCO1.COC1OC(COC(=O)c2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@H](OC3OC(COC(=O)c4ccccc4)C(O[C@H]4OC(COC(=O)c5ccccc5)[C@H](OC5OC(COC(=O)c6ccccc6)C(O[C@H]6OC(COC(=O)c7ccccc7)[C@H](OC7OC(COC(=O)c8ccccc8)C(O)[C@H](OC(=O)c8ccccc8)[C@@H]7N7C(=O)c8ccccc8C7=O)C(OC(=O)c7ccccc7)[C@H]6N6C(=O)c7ccccc7C6=O)[C@H](OC(=O)c6ccccc6)[C@@H]5N5C(=O)c6ccccc6C5=O)C(OC(=O)c5ccccc5)[C@H]4N4C(=O)c5ccccc5C4=O)[C@H](OC(=O)c4ccccc4)[C@@H]3N3C(=O)c4ccccc4C3=O)C(OC(=O)c3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O.COC1OC(COC(=O)c2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@H](OC3OC(COC(=O)c4ccccc4)C(O[C@H]4OC(COC(=O)c5ccccc5)[C@H](OC5OC(COC(=O)c6ccccc6)C(O[C@H]6OC(COC(=O)c7ccccc7)[C@H](OC7OC(COC(=O)c8ccccc8)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)c8ccccc8)[C@@H]7N7C(=O)c8ccccc8C7=O)C(OC(=O)c7ccccc7)[C@H]6N6C(=O)c7ccccc7C6=O)[C@H](OC(=O)c6ccccc6)[C@@H]5N5C(=O)c6ccccc6C5=O)C(OC(=O)c5ccccc5)[C@H]4N4C(=O)c5ccccc5C4=O)[C@H](OC(=O)c4ccccc4)[C@@H]3N3C(=O)c4ccccc4C3=O)C(OC(=O)c3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C203H165N7O57Si.C197H151N7O57.C7H12O3/c1-203(2,3)268(5,6)267-160-146(111-246-188(231)118-75-33-13-34-76-118)253-202(153(167(160)260-195(238)125-89-47-20-48-90-125)210-180(223)138-103-61-62-104-139(138)181(210)224)266-159-145(110-245-187(230)117-73-31-12-32-74-117)252-201(152(166(159)259-194(237)124-87-45-19-46-88-124)209-178(221)136-101-59-60-102-137(136)179(209)222)265-158-144(109-244-186(229)116-71-29-11-30-72-116)251-200(151(165(158)258-193(236)123-85-43-18-44-86-123)208-176(219)134-99-57-58-100-135(134)177(208)220)264-157-143(108-243-185(228)115-69-27-10-28-70-115)250-199(150(164(157)257-192(235)122-83-41-17-42-84-122)207-174(217)132-97-55-56-98-133(132)175(207)218)263-156-142(107-242-184(227)114-67-25-9-26-68-114)249-198(149(163(156)256-191(234)121-81-39-16-40-82-121)206-172(215)130-95-53-54-96-131(130)173(206)216)262-155-141(106-241-183(226)113-65-23-8-24-66-113)248-197(148(162(155)255-190(233)120-79-37-15-38-80-120)205-170(213)128-93-51-52-94-129(128)171(205)214)261-154-140(105-240-182(225)112-63-21-7-22-64-112)247-196(239-4)147(161(154)254-189(232)119-77-35-14-36-78-119)204-168(211)126-91-49-50-92-127(126)169(204)212;1-234-191-143(199-165(208)123-88-46-47-89-124(123)166(199)209)157(250-185(228)115-74-32-10-33-75-115)150(136(243-191)101-236-178(221)108-60-18-3-19-61-108)257-193-145(201-169(212)127-92-50-51-93-128(127)170(201)213)159(252-187(230)117-78-36-12-37-79-117)152(138(245-193)103-238-180(223)110-64-22-5-23-65-110)259-195-147(203-173(216)131-96-54-55-97-132(131)174(203)217)161(254-189(232)119-82-40-14-41-83-119)154(140(247-195)105-240-182(225)112-68-26-7-27-69-112)261-197-148(204-175(218)133-98-56-57-99-134(133)176(204)219)162(255-190(233)120-84-42-15-43-85-120)155(141(248-197)106-241-183(226)113-70-28-8-29-71-113)260-196-146(202-171(214)129-94-52-53-95-130(129)172(202)215)160(253-188(231)118-80-38-13-39-81-118)153(139(246-196)104-239-181(224)111-66-24-6-25-67-111)258-194-144(200-167(210)125-90-48-49-91-126(125)168(200)211)158(251-186(229)116-76-34-11-35-77-116)151(137(244-194)102-237-179(222)109-62-20-4-21-63-109)256-192-142(198-163(206)121-86-44-45-87-122(121)164(198)207)156(249-184(227)114-72-30-9-31-73-114)149(205)135(242-192)100-235-177(220)107-58-16-2-17-59-107;1-6(8)5-10-7-3-2-4-9-7/h7-104,140-167,196-202H,105-111H2,1-6H3;2-99,135-162,191-197,205H,100-106H2,1H3;7H,2-5H2,1H3/t140?,141?,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?,196?,197+,198?,199+,200?,201+,202?;135?,136?,137?,138?,139?,140?,141?,142-,143-,144+,145+,146-,147-,148+,149?,150?,151-,152-,153?,154?,155-,156+,157+,158?,159?,160+,161+,162?,191?,192?,193+,194+,195?,196?,197+;/m00./s1
InChIKeyNYCAUUAOZUQCMR-RSNYOHRRSA-N
MW7315.17 g/mol
LogP42.98
Rot. Bonds115

About [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one

[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one (PubChem CID 159918474) has the molecular formula C407H328N14O117Si and a molecular weight of 7315.17 g/mol. Its IUPAC name is [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one.

Molecular Properties

Compound Name[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one
PubChem CID159918474
Molecular FormulaC407H328N14O117Si
Molecular Weight7315.17 g/mol
Exact Mass7309.99
IUPAC Name[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one
SMILESCC(=O)COC1CCCO1.COC1OC(COC(=O)c2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@H](OC3OC(COC(=O)c4ccccc4)C(O[C@H]4OC(COC(=O)c5ccccc5)[C@H](OC5OC(COC(=O)c6ccccc6)C(O[C@H]6OC(COC(=O)c7ccccc7)[C@H](OC7OC(COC(=O)c8ccccc8)C(O)[C@H](OC(=O)c8ccccc8)[C@@H]7N7C(=O)c8ccccc8C7=O)C(OC(=O)c7ccccc7)[C@H]6N6C(=O)c7ccccc7C6=O)[C@H](OC(=O)c6ccccc6)[C@@H]5N5C(=O)c6ccccc6C5=O)C(OC(=O)c5ccccc5)[C@H]4N4C(=O)c5ccccc5C4=O)[C@H](OC(=O)c4ccccc4)[C@@H]3N3C(=O)c4ccccc4C3=O)C(OC(=O)c3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O.COC1OC(COC(=O)c2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@H](OC3OC(COC(=O)c4ccccc4)C(O[C@H]4OC(COC(=O)c5ccccc5)[C@H](OC5OC(COC(=O)c6ccccc6)C(O[C@H]6OC(COC(=O)c7ccccc7)[C@H](OC7OC(COC(=O)c8ccccc8)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)c8ccccc8)[C@@H]7N7C(=O)c8ccccc8C7=O)C(OC(=O)c7ccccc7)[C@H]6N6C(=O)c7ccccc7C6=O)[C@H](OC(=O)c6ccccc6)[C@@H]5N5C(=O)c6ccccc6C5=O)C(OC(=O)c5ccccc5)[C@H]4N4C(=O)c5ccccc5C4=O)[C@H](OC(=O)c4ccccc4)[C@@H]3N3C(=O)c4ccccc4C3=O)C(OC(=O)c3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C203H165N7O57Si.C197H151N7O57.C7H12O3/c1-203(2,3)268(5,6)267-160-146(111-246-188(231)118-75-33-13-34-76-118)253-202(153(167(160)260-195(238)125-89-47-20-48-90-125)210-180(223)138-103-61-62-104-139(138)181(210)224)266-159-145(110-245-187(230)117-73-31-12-32-74-117)252-201(152(166(159)259-194(237)124-87-45-19-46-88-124)209-178(221)136-101-59-60-102-137(136)179(209)222)265-158-144(109-244-186(229)116-71-29-11-30-72-116)251-200(151(165(158)258-193(236)123-85-43-18-44-86-123)208-176(219)134-99-57-58-100-135(134)177(208)220)264-157-143(108-243-185(228)115-69-27-10-28-70-115)250-199(150(164(157)257-192(235)122-83-41-17-42-84-122)207-174(217)132-97-55-56-98-133(132)175(207)218)263-156-142(107-242-184(227)114-67-25-9-26-68-114)249-198(149(163(156)256-191(234)121-81-39-16-40-82-121)206-172(215)130-95-53-54-96-131(130)173(206)216)262-155-141(106-241-183(226)113-65-23-8-24-66-113)248-197(148(162(155)255-190(233)120-79-37-15-38-80-120)205-170(213)128-93-51-52-94-129(128)171(205)214)261-154-140(105-240-182(225)112-63-21-7-22-64-112)247-196(239-4)147(161(154)254-189(232)119-77-35-14-36-78-119)204-168(211)126-91-49-50-92-127(126)169(204)212;1-234-191-143(199-165(208)123-88-46-47-89-124(123)166(199)209)157(250-185(228)115-74-32-10-33-75-115)150(136(243-191)101-236-178(221)108-60-18-3-19-61-108)257-193-145(201-169(212)127-92-50-51-93-128(127)170(201)213)159(252-187(230)117-78-36-12-37-79-117)152(138(245-193)103-238-180(223)110-64-22-5-23-65-110)259-195-147(203-173(216)131-96-54-55-97-132(131)174(203)217)161(254-189(232)119-82-40-14-41-83-119)154(140(247-195)105-240-182(225)112-68-26-7-27-69-112)261-197-148(204-175(218)133-98-56-57-99-134(133)176(204)219)162(255-190(233)120-84-42-15-43-85-120)155(141(248-197)106-241-183(226)113-70-28-8-29-71-113)260-196-146(202-171(214)129-94-52-53-95-130(129)172(202)215)160(253-188(231)118-80-38-13-39-81-118)153(139(246-196)104-239-181(224)111-66-24-6-25-67-111)258-194-144(200-167(210)125-90-48-49-91-126(125)168(200)211)158(251-186(229)116-76-34-11-35-77-116)151(137(244-194)102-237-179(222)109-62-20-4-21-63-109)256-192-142(198-163(206)121-86-44-45-87-122(121)164(198)207)156(249-184(227)114-72-30-9-31-73-114)149(205)135(242-192)100-235-177(220)107-58-16-2-17-59-107;1-6(8)5-10-7-3-2-4-9-7/h7-104,140-167,196-202H,105-111H2,1-6H3;2-99,135-162,191-197,205H,100-106H2,1H3;7H,2-5H2,1H3/t140?,141?,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?,196?,197+,198?,199+,200?,201+,202?;135?,136?,137?,138?,139?,140?,141?,142-,143-,144+,145+,146-,147-,148+,149?,150?,151-,152-,153?,154?,155-,156+,157+,158?,159?,160+,161+,162?,191?,192?,193+,194+,195?,196?,197+;/m00./s1
InChIKeyNYCAUUAOZUQCMR-RSNYOHRRSA-N
XLogP42.98
TPSA1583.15 Ų
H-Bond Donors1
H-Bond Acceptors117
Rotatable Bonds115
Heavy Atoms539
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007315.17
LogP ≤ 542.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 10117

Analyze [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one?
The IUPAC name of [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one (CID 159918474) is [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one.
What is the SMILES notation for [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one?
The canonical SMILES for [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one is CC(=O)COC1CCCO1.COC1OC(COC(=O)c2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@H](OC3OC(COC(=O)c4ccccc4)C(O[C@H]4OC(COC(=O)c5ccccc5)[C@H](OC5OC(COC(=O)c6ccccc6)C(O[C@H]6OC(COC(=O)c7ccccc7)[C@H](OC7OC(COC(=O)c8ccccc8)C(O)[C@H](OC(=O)c8ccccc8)[C@@H]7N7C(=O)c8ccccc8C7=O)C(OC(=O)c7ccccc7)[C@H]6N6C(=O)c7ccccc7C6=O)[C@H](OC(=O)c6ccccc6)[C@@H]5N5C(=O)c6ccccc6C5=O)C(OC(=O)c5ccccc5)[C@H]4N4C(=O)c5ccccc5C4=O)[C@H](OC(=O)c4ccccc4)[C@@H]3N3C(=O)c4ccccc4C3=O)C(OC(=O)c3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O.COC1OC(COC(=O)c2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@H](OC3OC(COC(=O)c4ccccc4)C(O[C@H]4OC(COC(=O)c5ccccc5)[C@H](OC5OC(COC(=O)c6ccccc6)C(O[C@H]6OC(COC(=O)c7ccccc7)[C@H](OC7OC(COC(=O)c8ccccc8)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)c8ccccc8)[C@@H]7N7C(=O)c8ccccc8C7=O)C(OC(=O)c7ccccc7)[C@H]6N6C(=O)c7ccccc7C6=O)[C@H](OC(=O)c6ccccc6)[C@@H]5N5C(=O)c6ccccc6C5=O)C(OC(=O)c5ccccc5)[C@H]4N4C(=O)c5ccccc5C4=O)[C@H](OC(=O)c4ccccc4)[C@@H]3N3C(=O)c4ccccc4C3=O)C(OC(=O)c3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one?
The InChIKey is NYCAUUAOZUQCMR-RSNYOHRRSA-N. The full InChI is InChI=1S/C203H165N7O57Si.C197H151N7O57.C7H12O3/c1-203(2,3)268(5,6)267-160-146(111-246-188(231)118-75-33-13-34-76-118)253-202(153(167(160)260-195(238)125-89-47-20-48-90-125)210-180(223)138-103-61-62-104-139(138)181(210)224)266-159-145(110-245-187(230)117-73-31-12-32-74-117)252-201(152(166(159)259-194(237)124-87-45-19-46-88-124)209-178(221)136-101-59-60-102-137(136)179(209)222)265-158-144(109-244-186(229)116-71-29-11-30-72-116)251-200(151(165(158)258-193(236)123-85-43-18-44-86-123)208-176(219)134-99-57-58-100-135(134)177(208)220)264-157-143(108-243-185(228)115-69-27-10-28-70-115)250-199(150(164(157)257-192(235)122-83-41-17-42-84-122)207-174(217)132-97-55-56-98-133(132)175(207)218)263-156-142(107-242-184(227)114-67-25-9-26-68-114)249-198(149(163(156)256-191(234)121-81-39-16-40-82-121)206-172(215)130-95-53-54-96-131(130)173(206)216)262-155-141(106-241-183(226)113-65-23-8-24-66-113)248-197(148(162(155)255-190(233)120-79-37-15-38-80-120)205-170(213)128-93-51-52-94-129(128)171(205)214)261-154-140(105-240-182(225)112-63-21-7-22-64-112)247-196(239-4)147(161(154)254-189(232)119-77-35-14-36-78-119)204-168(211)126-91-49-50-92-127(126)169(204)212;1-234-191-143(199-165(208)123-88-46-47-89-124(123)166(199)209)157(250-185(228)115-74-32-10-33-75-115)150(136(243-191)101-236-178(221)108-60-18-3-19-61-108)257-193-145(201-169(212)127-92-50-51-93-128(127)170(201)213)159(252-187(230)117-78-36-12-37-79-117)152(138(245-193)103-238-180(223)110-64-22-5-23-65-110)259-195-147(203-173(216)131-96-54-55-97-132(131)174(203)217)161(254-189(232)119-82-40-14-41-83-119)154(140(247-195)105-240-182(225)112-68-26-7-27-69-112)261-197-148(204-175(218)133-98-56-57-99-134(133)176(204)219)162(255-190(233)120-84-42-15-43-85-120)155(141(248-197)106-241-183(226)113-70-28-8-29-71-113)260-196-146(202-171(214)129-94-52-53-95-130(129)172(202)215)160(253-188(231)118-80-38-13-39-81-118)153(139(246-196)104-239-181(224)111-66-24-6-25-67-111)258-194-144(200-167(210)125-90-48-49-91-126(125)168(200)211)158(251-186(229)116-76-34-11-35-77-116)151(137(244-194)102-237-179(222)109-62-20-4-21-63-109)256-192-142(198-163(206)121-86-44-45-87-122(121)164(198)207)156(249-184(227)114-72-30-9-31-73-114)149(205)135(242-192)100-235-177(220)107-58-16-2-17-59-107;1-6(8)5-10-7-3-2-4-9-7/h7-104,140-167,196-202H,105-111H2,1-6H3;2-99,135-162,191-197,205H,100-106H2,1H3;7H,2-5H2,1H3/t140?,141?,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?,196?,197+,198?,199+,200?,201+,202?;135?,136?,137?,138?,139?,140?,141?,142-,143-,144+,145+,146-,147-,148+,149?,150?,151-,152-,153?,154?,155-,156+,157+,158?,159?,160+,161+,162?,191?,192?,193+,194+,195?,196?,197+;/m00./s1.
What are the key properties of [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one?
[(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one has a molecular weight of 7315.17 g/mol, XLogP of 42.98, 115 rotatable bonds, 1 hydrogen bond donors, and 117 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-benzoyloxy-3-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-5-[(2R,3R,5R)-4-benzoyloxy-5-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(benzoyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-6-[(3R,5R,6R)-4-benzoyloxy-6-[(4R,5S)-4-benzoyloxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-2-(benzoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxyoxan-2-yl]methyl benzoate;1-(oxolan-2-yloxy)propan-2-one is sourced from PubChem (CID 159918474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).