4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide

C136H256N8O68S8Si8 — CID 11159284

IUPAC4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide
SMILESO=C(CCCSCC[Si]12O[Si]3(CCSCCCC(=O)NCCCCCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)O[Si]4(CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)O[Si](CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)(O1)O[Si]1(CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)O[Si](CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)(O2)O[Si](CCSCCCC(=O)NCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(O3)O[Si](CCSCCCC(=O)NCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(O4)O1)NCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C136H256N8O68S8Si8/c145-81-89-105(161)113(169)121(177)129(193-89)185-49-17-1-9-41-137-97(153)33-25-57-213-65-73-221-201-222(74-66-214-58-26-34-98(154)138-42-10-2-18-50-186-130-122(178)114(170)106(162)90(82-146)194-130)204-225(77-69-217-61-29-37-101(157)141-45-13-5-21-53-189-133-125(181)117(173)109(165)93(85-149)197-133)206-223(202-221,75-67-215-59-27-35-99(155)139-43-11-3-19-51-187-131-123(179)115(171)107(163)91(83-147)195-131)208-227(79-71-219-63-31-39-103(159)143-47-15-7-23-55-191-135-127(183)119(175)111(167)95(87-151)199-135)209-224(203-221,76-68-216-60-28-36-100(156)140-44-12-4-20-52-188-132-124(180)116(172)108(164)92(84-148)196-132)207-226(205-222,78-70-218-62-30-38-102(158)142-46-14-6-22-54-190-134-126(182)118(174)110(166)94(86-150)198-134)211-228(210-225,212-227)80-72-220-64-32-40-104(160)144-48-16-8-24-56-192-136-128(184)120(176)112(168)96(88-152)200-136/h89-96,105-136,145-152,161-184H,1-88H2,(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,160)/t89-,90-,91-,92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,221?,222?,223?,224?,225?,226?,227?,228?/m1/s1
InChIKeyKXPCEOXBIOONDR-LEOGNXBWSA-N
MW3572.76 g/mol
LogP-7.30
Rot. Bonds120

About 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide

4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide (PubChem CID 11159284) has the molecular formula C136H256N8O68S8Si8 and a molecular weight of 3572.76 g/mol. Its IUPAC name is 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide.

Molecular Properties

Compound Name4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide
PubChem CID11159284
Molecular FormulaC136H256N8O68S8Si8
Molecular Weight3572.76 g/mol
Exact Mass3569.27
IUPAC Name4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide
SMILESO=C(CCCSCC[Si]12O[Si]3(CCSCCCC(=O)NCCCCCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)O[Si]4(CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)O[Si](CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)(O1)O[Si]1(CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)O[Si](CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)(O2)O[Si](CCSCCCC(=O)NCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(O3)O[Si](CCSCCCC(=O)NCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(O4)O1)NCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C136H256N8O68S8Si8/c145-81-89-105(161)113(169)121(177)129(193-89)185-49-17-1-9-41-137-97(153)33-25-57-213-65-73-221-201-222(74-66-214-58-26-34-98(154)138-42-10-2-18-50-186-130-122(178)114(170)106(162)90(82-146)194-130)204-225(77-69-217-61-29-37-101(157)141-45-13-5-21-53-189-133-125(181)117(173)109(165)93(85-149)197-133)206-223(202-221,75-67-215-59-27-35-99(155)139-43-11-3-19-51-187-131-123(179)115(171)107(163)91(83-147)195-131)208-227(79-71-219-63-31-39-103(159)143-47-15-7-23-55-191-135-127(183)119(175)111(167)95(87-151)199-135)209-224(203-221,76-68-216-60-28-36-100(156)140-44-12-4-20-52-188-132-124(180)116(172)108(164)92(84-148)196-132)207-226(205-222,78-70-218-62-30-38-102(158)142-46-14-6-22-54-190-134-126(182)118(174)110(166)94(86-150)198-134)211-228(210-225,212-227)80-72-220-64-32-40-104(160)144-48-16-8-24-56-192-136-128(184)120(176)112(168)96(88-152)200-136/h89-96,105-136,145-152,161-184H,1-88H2,(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,160)/t89-,90-,91-,92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,221?,222?,223?,224?,225?,226?,227?,228?/m1/s1
InChIKeyKXPCEOXBIOONDR-LEOGNXBWSA-N
XLogP-7.30
TPSA1138.60 Ų
H-Bond Donors40
H-Bond Acceptors76
Rotatable Bonds120
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003572.76
LogP ≤ 5-7.30
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1076

Analyze 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 10664588
N-[4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutyl]hexadecanamide
CID 100939598
N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
CID 91160205
16-sulfanyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]hexadecanamide
CID 102511617
2-methyl-N-[15-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]propanamide
CID 177289168
N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 169075604
N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;tris(N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide)
CID 161194150
N-[(5S)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 159616515
4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-heptylbutanamide
CID 130196068
3-(4-methyl-2,5-dioxofuran-3-yl)-N-[5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]propanamide
CID 25117512
methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate
CID 163450480
N-(2,2-dimethoxyethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 11783856

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide?
The IUPAC name of 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide (CID 11159284) is 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide.
What is the SMILES notation for 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide?
The canonical SMILES for 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide is O=C(CCCSCC[Si]12O[Si]3(CCSCCCC(=O)NCCCCCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)O[Si]4(CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)O[Si](CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)(O1)O[Si]1(CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)O[Si](CCSCCCC(=O)NCCCCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)(O2)O[Si](CCSCCCC(=O)NCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(O3)O[Si](CCSCCCC(=O)NCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)(O4)O1)NCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide?
The InChIKey is KXPCEOXBIOONDR-LEOGNXBWSA-N. The full InChI is InChI=1S/C136H256N8O68S8Si8/c145-81-89-105(161)113(169)121(177)129(193-89)185-49-17-1-9-41-137-97(153)33-25-57-213-65-73-221-201-222(74-66-214-58-26-34-98(154)138-42-10-2-18-50-186-130-122(178)114(170)106(162)90(82-146)194-130)204-225(77-69-217-61-29-37-101(157)141-45-13-5-21-53-189-133-125(181)117(173)109(165)93(85-149)197-133)206-223(202-221,75-67-215-59-27-35-99(155)139-43-11-3-19-51-187-131-123(179)115(171)107(163)91(83-147)195-131)208-227(79-71-219-63-31-39-103(159)143-47-15-7-23-55-191-135-127(183)119(175)111(167)95(87-151)199-135)209-224(203-221,76-68-216-60-28-36-100(156)140-44-12-4-20-52-188-132-124(180)116(172)108(164)92(84-148)196-132)207-226(205-222,78-70-218-62-30-38-102(158)142-46-14-6-22-54-190-134-126(182)118(174)110(166)94(86-150)198-134)211-228(210-225,212-227)80-72-220-64-32-40-104(160)144-48-16-8-24-56-192-136-128(184)120(176)112(168)96(88-152)200-136/h89-96,105-136,145-152,161-184H,1-88H2,(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,160)/t89-,90-,91-,92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,221?,222?,223?,224?,225?,226?,227?,228?/m1/s1.
What are the key properties of 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide?
4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide has a molecular weight of 3572.76 g/mol, XLogP of -7.30, 120 rotatable bonds, 40 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5,7,9,11,13,15-heptakis[2-[4-oxo-4-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]butyl]sulfanylethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethylsulfanyl]-N-[5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]butanamide is sourced from PubChem (CID 11159284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).