3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane

C232H353F3N34O133P12S12 — CID 158163659

IUPAC3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane
SMILESC#CCOc1cc(C(=O)NCCCc2c(OCc3cn(CCCNC(=O)c4cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c4)nn3)cc(C(=O)CCCCCCC(=O)NCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](C4C=C(C)C(=O)NC4=O)CC3O)cc2OCc2cn(CCCNC(=O)c3cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c3)nn2)cc(OCC#C)c1CCCNC(=O)C(F)(F)F.CC.CC1=CC([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCNC(=O)CCCCCCC(=O)c3cc(OCc4cn(CCCNC(=O)c5cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c5)nn4)c(CCCNC(=O)c4cc(OCc5cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn5)c(CCCN)c(OCc5cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn5)c4)c(OCc4cn(CCCNC(=O)c5cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c5)nn4)c3)O2)C(=O)NC1=O.[N-]=[N+]=NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C126H202N18O72P6S6.C96H135F3N12O57P6S6.C8H10N4O4.C2H6/c1-95-76-106(126(154)132-122(95)150)113-85-108(148)118(211-113)94-210-218(157,158)213-220(161,162)215-222(165,166)216-221(163,164)214-219(159,160)212-217(155,156)209-41-9-5-4-8-25-128-119(149)23-7-3-2-6-22-107(147)96-77-109(205-90-100-86-141(137-133-100)29-12-27-130-124(152)98-81-114(199-35-14-70-223(167,168)169)120(203-39-18-74-227(179,180)181)115(82-98)200-36-15-71-224(170,171)172)105(110(78-96)206-91-101-87-142(138-134-101)30-13-28-131-125(153)99-83-116(201-37-16-72-225(173,174)175)121(204-40-19-75-228(182,183)184)117(84-99)202-38-17-73-226(176,177)178)21-11-26-129-123(151)97-79-111(207-92-102-88-143(139-135-102)31-42-185-46-50-189-54-58-193-62-66-197-68-64-195-60-56-191-52-48-187-44-33-145)104(20-10-24-127)112(80-97)208-93-103-89-144(140-136-103)32-43-186-47-51-190-55-59-194-63-67-198-69-65-196-61-57-192-53-49-188-45-34-146;1-4-35-151-77-53-67(54-78(152-36-5-2)72(77)25-15-30-104-95(120)96(97,98)99)91(116)101-29-14-24-73-79(159-62-70-60-110(108-106-70)33-16-31-102-92(117)68-55-82(153-37-18-44-175(133,134)135)88(157-41-22-48-179(145,146)147)83(56-68)154-38-19-45-176(136,137)138)51-66(52-80(73)160-63-71-61-111(109-107-71)34-17-32-103-93(118)69-57-84(155-39-20-46-177(139,140)141)89(158-42-23-49-180(148,149)150)85(58-69)156-40-21-47-178(142,143)144)75(112)26-10-6-7-11-27-87(114)100-28-12-8-9-13-43-161-169(121,122)164-171(125,126)166-173(129,130)168-174(131,132)167-172(127,128)165-170(123,124)162-64-86-76(113)59-81(163-86)74-50-65(3)90(115)105-94(74)119;9-11-10-5-1-2-8(15)16-12-6(13)3-4-7(12)14;1-2/h76-84,86-89,106,108,113,118,145-146,148H,2-75,85,90-94,127H2,1H3,(H,128,149)(H,129,151)(H,130,152)(H,131,153)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,132,150,154)(H,167,168,169)(H,170,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)(H,182,183,184);1-2,50-58,60-61,74,76,81,86,113H,6-49,59,62-64H2,3H3,(H,100,114)(H,101,116)(H,102,117)(H,103,118)(H,104,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,105,115,119)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150);1-5H2;1-2H3/t106?,108?,113-,118-;74?,76?,81-,86-;;/m11../s1
InChIKeyFWOQPVLCPRNCNW-CVUFLAFFSA-N
MW6559.97 g/mol
LogP12.05
Rot. Bonds230

About 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane

3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane (PubChem CID 158163659) has the molecular formula C232H353F3N34O133P12S12 and a molecular weight of 6559.97 g/mol. Its IUPAC name is 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane.

Molecular Properties

Compound Name3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane
PubChem CID158163659
Molecular FormulaC232H353F3N34O133P12S12
Molecular Weight6559.97 g/mol
Exact Mass6555.54
IUPAC Name3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane
SMILESC#CCOc1cc(C(=O)NCCCc2c(OCc3cn(CCCNC(=O)c4cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c4)nn3)cc(C(=O)CCCCCCC(=O)NCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](C4C=C(C)C(=O)NC4=O)CC3O)cc2OCc2cn(CCCNC(=O)c3cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c3)nn2)cc(OCC#C)c1CCCNC(=O)C(F)(F)F.CC.CC1=CC([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCNC(=O)CCCCCCC(=O)c3cc(OCc4cn(CCCNC(=O)c5cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c5)nn4)c(CCCNC(=O)c4cc(OCc5cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn5)c(CCCN)c(OCc5cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn5)c4)c(OCc4cn(CCCNC(=O)c5cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c5)nn4)c3)O2)C(=O)NC1=O.[N-]=[N+]=NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C126H202N18O72P6S6.C96H135F3N12O57P6S6.C8H10N4O4.C2H6/c1-95-76-106(126(154)132-122(95)150)113-85-108(148)118(211-113)94-210-218(157,158)213-220(161,162)215-222(165,166)216-221(163,164)214-219(159,160)212-217(155,156)209-41-9-5-4-8-25-128-119(149)23-7-3-2-6-22-107(147)96-77-109(205-90-100-86-141(137-133-100)29-12-27-130-124(152)98-81-114(199-35-14-70-223(167,168)169)120(203-39-18-74-227(179,180)181)115(82-98)200-36-15-71-224(170,171)172)105(110(78-96)206-91-101-87-142(138-134-101)30-13-28-131-125(153)99-83-116(201-37-16-72-225(173,174)175)121(204-40-19-75-228(182,183)184)117(84-99)202-38-17-73-226(176,177)178)21-11-26-129-123(151)97-79-111(207-92-102-88-143(139-135-102)31-42-185-46-50-189-54-58-193-62-66-197-68-64-195-60-56-191-52-48-187-44-33-145)104(20-10-24-127)112(80-97)208-93-103-89-144(140-136-103)32-43-186-47-51-190-55-59-194-63-67-198-69-65-196-61-57-192-53-49-188-45-34-146;1-4-35-151-77-53-67(54-78(152-36-5-2)72(77)25-15-30-104-95(120)96(97,98)99)91(116)101-29-14-24-73-79(159-62-70-60-110(108-106-70)33-16-31-102-92(117)68-55-82(153-37-18-44-175(133,134)135)88(157-41-22-48-179(145,146)147)83(56-68)154-38-19-45-176(136,137)138)51-66(52-80(73)160-63-71-61-111(109-107-71)34-17-32-103-93(118)69-57-84(155-39-20-46-177(139,140)141)89(158-42-23-49-180(148,149)150)85(58-69)156-40-21-47-178(142,143)144)75(112)26-10-6-7-11-27-87(114)100-28-12-8-9-13-43-161-169(121,122)164-171(125,126)166-173(129,130)168-174(131,132)167-172(127,128)165-170(123,124)162-64-86-76(113)59-81(163-86)74-50-65(3)90(115)105-94(74)119;9-11-10-5-1-2-8(15)16-12-6(13)3-4-7(12)14;1-2/h76-84,86-89,106,108,113,118,145-146,148H,2-75,85,90-94,127H2,1H3,(H,128,149)(H,129,151)(H,130,152)(H,131,153)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,132,150,154)(H,167,168,169)(H,170,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)(H,182,183,184);1-2,50-58,60-61,74,76,81,86,113H,6-49,59,62-64H2,3H3,(H,100,114)(H,101,116)(H,102,117)(H,103,118)(H,104,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,105,115,119)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150);1-5H2;1-2H3/t106?,108?,113-,118-;74?,76?,81-,86-;;/m11../s1
InChIKeyFWOQPVLCPRNCNW-CVUFLAFFSA-N
XLogP12.05
TPSA2353.56 Ų
H-Bond Donors40
H-Bond Acceptors129
Rotatable Bonds230
Heavy Atoms426
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006559.97
LogP ≤ 512.05
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 10129

Analyze 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane?
The IUPAC name of 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane (CID 158163659) is 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane.
What is the SMILES notation for 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane?
The canonical SMILES for 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane is C#CCOc1cc(C(=O)NCCCc2c(OCc3cn(CCCNC(=O)c4cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c4)nn3)cc(C(=O)CCCCCCC(=O)NCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](C4C=C(C)C(=O)NC4=O)CC3O)cc2OCc2cn(CCCNC(=O)c3cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c3)nn2)cc(OCC#C)c1CCCNC(=O)C(F)(F)F.CC.CC1=CC([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCNC(=O)CCCCCCC(=O)c3cc(OCc4cn(CCCNC(=O)c5cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c5)nn4)c(CCCNC(=O)c4cc(OCc5cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn5)c(CCCN)c(OCc5cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn5)c4)c(OCc4cn(CCCNC(=O)c5cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c5)nn4)c3)O2)C(=O)NC1=O.[N-]=[N+]=NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane?
The InChIKey is FWOQPVLCPRNCNW-CVUFLAFFSA-N. The full InChI is InChI=1S/C126H202N18O72P6S6.C96H135F3N12O57P6S6.C8H10N4O4.C2H6/c1-95-76-106(126(154)132-122(95)150)113-85-108(148)118(211-113)94-210-218(157,158)213-220(161,162)215-222(165,166)216-221(163,164)214-219(159,160)212-217(155,156)209-41-9-5-4-8-25-128-119(149)23-7-3-2-6-22-107(147)96-77-109(205-90-100-86-141(137-133-100)29-12-27-130-124(152)98-81-114(199-35-14-70-223(167,168)169)120(203-39-18-74-227(179,180)181)115(82-98)200-36-15-71-224(170,171)172)105(110(78-96)206-91-101-87-142(138-134-101)30-13-28-131-125(153)99-83-116(201-37-16-72-225(173,174)175)121(204-40-19-75-228(182,183)184)117(84-99)202-38-17-73-226(176,177)178)21-11-26-129-123(151)97-79-111(207-92-102-88-143(139-135-102)31-42-185-46-50-189-54-58-193-62-66-197-68-64-195-60-56-191-52-48-187-44-33-145)104(20-10-24-127)112(80-97)208-93-103-89-144(140-136-103)32-43-186-47-51-190-55-59-194-63-67-198-69-65-196-61-57-192-53-49-188-45-34-146;1-4-35-151-77-53-67(54-78(152-36-5-2)72(77)25-15-30-104-95(120)96(97,98)99)91(116)101-29-14-24-73-79(159-62-70-60-110(108-106-70)33-16-31-102-92(117)68-55-82(153-37-18-44-175(133,134)135)88(157-41-22-48-179(145,146)147)83(56-68)154-38-19-45-176(136,137)138)51-66(52-80(73)160-63-71-61-111(109-107-71)34-17-32-103-93(118)69-57-84(155-39-20-46-177(139,140)141)89(158-42-23-49-180(148,149)150)85(58-69)156-40-21-47-178(142,143)144)75(112)26-10-6-7-11-27-87(114)100-28-12-8-9-13-43-161-169(121,122)164-171(125,126)166-173(129,130)168-174(131,132)167-172(127,128)165-170(123,124)162-64-86-76(113)59-81(163-86)74-50-65(3)90(115)105-94(74)119;9-11-10-5-1-2-8(15)16-12-6(13)3-4-7(12)14;1-2/h76-84,86-89,106,108,113,118,145-146,148H,2-75,85,90-94,127H2,1H3,(H,128,149)(H,129,151)(H,130,152)(H,131,153)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,132,150,154)(H,167,168,169)(H,170,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)(H,182,183,184);1-2,50-58,60-61,74,76,81,86,113H,6-49,59,62-64H2,3H3,(H,100,114)(H,101,116)(H,102,117)(H,103,118)(H,104,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,105,115,119)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150);1-5H2;1-2H3/t106?,108?,113-,118-;74?,76?,81-,86-;;/m11../s1.
What are the key properties of 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane?
3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane has a molecular weight of 6559.97 g/mol, XLogP of 12.05, 230 rotatable bonds, 40 hydrogen bond donors, and 129 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[4-[[2-[3-[[4-(3-aminopropyl)-3,5-bis[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;3-[5-[3-[4-[[2-[3-[[3,5-bis(prop-2-ynoxy)-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzoyl]amino]propyl]-5-[8-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-8-oxooctanoyl]-3-[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate;ethane is sourced from PubChem (CID 158163659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).