[(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)

C237H441N33O72P4 — CID 157143623

IUPAC[(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)
SMILESCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.COP(=O)(O)OC[C@H]1OCC[C@@H]1OP(=O)(O)OCCCCCCNC(=O)[C@H](CCCCN(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)N(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1.COP(=O)(O)O[C@@H]1CCO[C@@H]1COP(=O)(O)OCCCCCCCC(=O)[C@H](CCCCN(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)N(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1
InChIInChI=1S/C77H134N18O37P2.C76H133N15O35P2.2C41H84.C2H6/c1-47-65(103)66(104)57(42-96)128-74(47)122-30-26-117-24-18-94-40-53(84-88-94)36-91(37-54-41-95(89-85-54)19-25-120-29-33-125-77-64(81-50(4)102)72(110)69(107)60(45-99)131-77)55(73(111)78-14-9-6-7-11-20-126-134(114,115)132-56-13-21-121-61(56)46-127-133(112,113)116-5)12-8-10-15-90(34-51-38-92(86-82-51)16-22-118-27-31-123-75-62(79-48(2)100)70(108)67(105)58(43-97)129-75)35-52-39-93(87-83-52)17-23-119-28-32-124-76-63(80-49(3)101)71(109)68(106)59(44-98)130-76;1-48-65(98)68(101)59(43-92)122-73(48)116-31-27-111-23-17-88-39-52(78-82-88)35-86(36-53-40-89(83-79-53)18-24-112-28-32-117-74-49(2)66(99)69(102)60(44-93)123-74)16-11-10-13-56(57(97)14-9-7-6-8-12-21-120-128(108,109)121-47-63-58(15-22-115-63)126-127(106,107)110-5)87(37-54-41-90(84-80-54)19-25-113-29-33-118-75-50(3)67(100)70(103)61(45-94)124-75)38-55-42-91(85-81-55)20-26-114-30-34-119-76-64(77-51(4)96)72(105)71(104)62(46-95)125-76;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2/h38-41,47,55-72,74-77,96-99,103-110H,6-37,42-46H2,1-5H3,(H,78,111)(H,79,100)(H,80,101)(H,81,102)(H,112,113)(H,114,115);39-42,48-50,56,58-76,92-95,98-105H,6-38,43-47H2,1-5H3,(H,77,96)(H,106,107)(H,108,109);2*3-41H2,1-2H3;1-2H3/t47-,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70-,71-,72-,74-,75-,76-,77-;48-,49-,50-,56+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-;;;/m11.../s1
InChIKeyAKLQMTXYUNSBKX-TWAVYNPUSA-N
MW5029.19 g/mol
LogP21.13
Rot. Bonds203

About [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)

[(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane) (PubChem CID 157143623) has the molecular formula C237H441N33O72P4 and a molecular weight of 5029.19 g/mol. Its IUPAC name is [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane).

Molecular Properties

Compound Name[(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)
PubChem CID157143623
Molecular FormulaC237H441N33O72P4
Molecular Weight5029.19 g/mol
Exact Mass5026.08
IUPAC Name[(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)
SMILESCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.COP(=O)(O)OC[C@H]1OCC[C@@H]1OP(=O)(O)OCCCCCCNC(=O)[C@H](CCCCN(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)N(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1.COP(=O)(O)O[C@@H]1CCO[C@@H]1COP(=O)(O)OCCCCCCCC(=O)[C@H](CCCCN(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)N(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1
InChIInChI=1S/C77H134N18O37P2.C76H133N15O35P2.2C41H84.C2H6/c1-47-65(103)66(104)57(42-96)128-74(47)122-30-26-117-24-18-94-40-53(84-88-94)36-91(37-54-41-95(89-85-54)19-25-120-29-33-125-77-64(81-50(4)102)72(110)69(107)60(45-99)131-77)55(73(111)78-14-9-6-7-11-20-126-134(114,115)132-56-13-21-121-61(56)46-127-133(112,113)116-5)12-8-10-15-90(34-51-38-92(86-82-51)16-22-118-27-31-123-75-62(79-48(2)100)70(108)67(105)58(43-97)129-75)35-52-39-93(87-83-52)17-23-119-28-32-124-76-63(80-49(3)101)71(109)68(106)59(44-98)130-76;1-48-65(98)68(101)59(43-92)122-73(48)116-31-27-111-23-17-88-39-52(78-82-88)35-86(36-53-40-89(83-79-53)18-24-112-28-32-117-74-49(2)66(99)69(102)60(44-93)123-74)16-11-10-13-56(57(97)14-9-7-6-8-12-21-120-128(108,109)121-47-63-58(15-22-115-63)126-127(106,107)110-5)87(37-54-41-90(84-80-54)19-25-113-29-33-118-75-50(3)67(100)70(103)61(45-94)124-75)38-55-42-91(85-81-55)20-26-114-30-34-119-76-64(77-51(4)96)72(105)71(104)62(46-95)125-76;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2/h38-41,47,55-72,74-77,96-99,103-110H,6-37,42-46H2,1-5H3,(H,78,111)(H,79,100)(H,80,101)(H,81,102)(H,112,113)(H,114,115);39-42,48-50,56,58-76,92-95,98-105H,6-38,43-47H2,1-5H3,(H,77,96)(H,106,107)(H,108,109);2*3-41H2,1-2H3;1-2H3/t47-,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70-,71-,72-,74-,75-,76-,77-;48-,49-,50-,56+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-;;;/m11.../s1
InChIKeyAKLQMTXYUNSBKX-TWAVYNPUSA-N
XLogP21.13
TPSA1369.75 Ų
H-Bond Donors33
H-Bond Acceptors96
Rotatable Bonds203
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005029.19
LogP ≤ 521.13
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1096

Analyze [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane) with MolForge

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Related Compounds

CID 161395866
CID 161395866
(2S)-2-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide
CID 118244730
N-[(2R,3R,4R,5R,6R)-2-[2-[2-[4-[[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[(5R)-5-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 130325567
N-[(2R,3R,4R,5R,6R)-2-[2-[2-[4-[[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[(5S)-5-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 130325566
(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[(1-propyltriazol-4-yl)methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid
CID 90071533
(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
CID 157422568
N-[2-[2-[2-[4-[[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[(5R)-5-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]amino]-6-oxoheptyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 146384387
N-[2-[2-[2-[4-[[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[(5S)-5-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 126713898
N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 167705941
(2S)-2,6-bis[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[6-(4-methyl-2,5-dioxofuran-3-yl)-4-methylidenehexyl]hexanamide
CID 161465769
(2S)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[4-acetyl-3,5-dihydroxy-6-(hydroxymethyl)morpholin-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid
CID 130192866
N-(2-aminoethyl)-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanamide
CID 123485069

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)?
The IUPAC name of [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane) (CID 157143623) is [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane).
What is the SMILES notation for [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)?
The canonical SMILES for [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane) is CC.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.COP(=O)(O)OC[C@H]1OCC[C@@H]1OP(=O)(O)OCCCCCCNC(=O)[C@H](CCCCN(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)N(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1.COP(=O)(O)O[C@@H]1CCO[C@@H]1COP(=O)(O)OCCCCCCCC(=O)[C@H](CCCCN(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)N(Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)nn1)Cc1cn(CCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)nn1.
What is the InChIKey of [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)?
The InChIKey is AKLQMTXYUNSBKX-TWAVYNPUSA-N. The full InChI is InChI=1S/C77H134N18O37P2.C76H133N15O35P2.2C41H84.C2H6/c1-47-65(103)66(104)57(42-96)128-74(47)122-30-26-117-24-18-94-40-53(84-88-94)36-91(37-54-41-95(89-85-54)19-25-120-29-33-125-77-64(81-50(4)102)72(110)69(107)60(45-99)131-77)55(73(111)78-14-9-6-7-11-20-126-134(114,115)132-56-13-21-121-61(56)46-127-133(112,113)116-5)12-8-10-15-90(34-51-38-92(86-82-51)16-22-118-27-31-123-75-62(79-48(2)100)70(108)67(105)58(43-97)129-75)35-52-39-93(87-83-52)17-23-119-28-32-124-76-63(80-49(3)101)71(109)68(106)59(44-98)130-76;1-48-65(98)68(101)59(43-92)122-73(48)116-31-27-111-23-17-88-39-52(78-82-88)35-86(36-53-40-89(83-79-53)18-24-112-28-32-117-74-49(2)66(99)69(102)60(44-93)123-74)16-11-10-13-56(57(97)14-9-7-6-8-12-21-120-128(108,109)121-47-63-58(15-22-115-63)126-127(106,107)110-5)87(37-54-41-90(84-80-54)19-25-113-29-33-118-75-50(3)67(100)70(103)61(45-94)124-75)38-55-42-91(85-81-55)20-26-114-30-34-119-76-64(77-51(4)96)72(105)71(104)62(46-95)125-76;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2/h38-41,47,55-72,74-77,96-99,103-110H,6-37,42-46H2,1-5H3,(H,78,111)(H,79,100)(H,80,101)(H,81,102)(H,112,113)(H,114,115);39-42,48-50,56,58-76,92-95,98-105H,6-38,43-47H2,1-5H3,(H,77,96)(H,106,107)(H,108,109);2*3-41H2,1-2H3;1-2H3/t47-,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70-,71-,72-,74-,75-,76-,77-;48-,49-,50-,56+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-;;;/m11.../s1.
What are the key properties of [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane)?
[(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane) has a molecular weight of 5029.19 g/mol, XLogP of 21.13, 203 rotatable bonds, 33 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[6-[[(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoyl]amino]hexoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl methyl hydrogen phosphate;[(2R,3R)-2-[[[(9S)-9-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-13-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-8-oxotridecoxy]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] methyl hydrogen phosphate;ethane;bis(hentetracontane) is sourced from PubChem (CID 157143623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).