(6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol

C112H203N18O61+ — CID 176795420

IUPAC(6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
SMILESOCC1OC(OCCOCCOCCOCCN2C=C(COCC(COCc3cn(CCOCCOCCOCCOC4OC(CO)[C@@H](O)C(O)C4O)nn3)(COCc3c[n+](CCOCCOCCOCCO[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[nH]n3)COCC(COCC3=CN(CCOCCOCCOCCO[C@@H]4OC(CO)C(O)C(O)C4O)NN3)(COCC3=CN(CCOCCOCCOCCO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)NN3)COCc3cn(CCOCCOCCOCCOC4OC(CO)[C@@H](O)C(O)C4O)nn3)NN2)C(O)C(O)C1O
InChIInChI=1S/C112H202N18O61/c131-55-81-87(137)93(143)99(149)105(186-81)180-43-37-167-31-25-161-19-13-155-7-1-125-49-75(113-119-125)61-173-67-111(68-174-62-76-50-126(120-114-76)2-8-156-14-20-162-26-32-168-38-44-181-106-100(150)94(144)88(138)82(56-132)187-106,69-175-63-77-51-127(121-115-77)3-9-157-15-21-163-27-33-169-39-45-182-107-101(151)95(145)89(139)83(57-133)188-107)73-179-74-112(70-176-64-78-52-128(122-116-78)4-10-158-16-22-164-28-34-170-40-46-183-108-102(152)96(146)90(140)84(58-134)189-108,71-177-65-79-53-129(123-117-79)5-11-159-17-23-165-29-35-171-41-47-184-109-103(153)97(147)91(141)85(59-135)190-109)72-178-66-80-54-130(124-118-80)6-12-160-18-24-166-30-36-172-42-48-185-110-104(154)98(148)92(142)86(60-136)191-110/h49-54,81-110,131-154H,1-48,55-74H2,(H6,113,114,115,116,117,118,119,120,121,122,123,124)/p+1/t81?,82?,83?,84?,85?,86?,87-,88-,89?,90-,91+,92?,93+,94?,95?,96?,97+,98?,99?,100?,101?,102?,103?,104?,105-,106?,107-,108?,109-,110?,111?,112?/m1/s1
InChIKeyVZPOXFFJAOTLAE-LXQCNKHESA-O
MW2777.92 g/mol
LogP-19.43
Rot. Bonds112

About (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol

(6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol (PubChem CID 176795420) has the molecular formula C112H203N18O61+ and a molecular weight of 2777.92 g/mol. Its IUPAC name is (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
PubChem CID176795420
Molecular FormulaC112H203N18O61+
Molecular Weight2777.92 g/mol
Exact Mass2776.33
IUPAC Name(6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
SMILESOCC1OC(OCCOCCOCCOCCN2C=C(COCC(COCc3cn(CCOCCOCCOCCOC4OC(CO)[C@@H](O)C(O)C4O)nn3)(COCc3c[n+](CCOCCOCCOCCO[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[nH]n3)COCC(COCC3=CN(CCOCCOCCOCCO[C@@H]4OC(CO)C(O)C(O)C4O)NN3)(COCC3=CN(CCOCCOCCOCCO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)NN3)COCc3cn(CCOCCOCCOCCOC4OC(CO)[C@@H](O)C(O)C4O)nn3)NN2)C(O)C(O)C1O
InChIInChI=1S/C112H202N18O61/c131-55-81-87(137)93(143)99(149)105(186-81)180-43-37-167-31-25-161-19-13-155-7-1-125-49-75(113-119-125)61-173-67-111(68-174-62-76-50-126(120-114-76)2-8-156-14-20-162-26-32-168-38-44-181-106-100(150)94(144)88(138)82(56-132)187-106,69-175-63-77-51-127(121-115-77)3-9-157-15-21-163-27-33-169-39-45-182-107-101(151)95(145)89(139)83(57-133)188-107)73-179-74-112(70-176-64-78-52-128(122-116-78)4-10-158-16-22-164-28-34-170-40-46-183-108-102(152)96(146)90(140)84(58-134)189-108,71-177-65-79-53-129(123-117-79)5-11-159-17-23-165-29-35-171-41-47-184-109-103(153)97(147)91(141)85(59-135)190-109)72-178-66-80-54-130(124-118-80)6-12-160-18-24-166-30-36-172-42-48-185-110-104(154)98(148)92(142)86(60-136)191-110/h49-54,81-110,131-154H,1-48,55-74H2,(H6,113,114,115,116,117,118,119,120,121,122,123,124)/p+1/t81?,82?,83?,84?,85?,86?,87-,88-,89?,90-,91+,92?,93+,94?,95?,96?,97+,98?,99?,100?,101?,102?,103?,104?,105-,106?,107-,108?,109-,110?,111?,112?/m1/s1
InChIKeyVZPOXFFJAOTLAE-LXQCNKHESA-O
XLogP-19.43
TPSA1002.91 Ų
H-Bond Donors31
H-Bond Acceptors77
Rotatable Bonds112
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.92
LogP ≤ 5-19.43
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1077

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
The IUPAC name of (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol (CID 176795420) is (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
The canonical SMILES for (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol is OCC1OC(OCCOCCOCCOCCN2C=C(COCC(COCc3cn(CCOCCOCCOCCOC4OC(CO)[C@@H](O)C(O)C4O)nn3)(COCc3c[n+](CCOCCOCCOCCO[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[nH]n3)COCC(COCC3=CN(CCOCCOCCOCCO[C@@H]4OC(CO)C(O)C(O)C4O)NN3)(COCC3=CN(CCOCCOCCOCCO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)NN3)COCc3cn(CCOCCOCCOCCOC4OC(CO)[C@@H](O)C(O)C4O)nn3)NN2)C(O)C(O)C1O.
What is the InChIKey of (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
The InChIKey is VZPOXFFJAOTLAE-LXQCNKHESA-O. The full InChI is InChI=1S/C112H202N18O61/c131-55-81-87(137)93(143)99(149)105(186-81)180-43-37-167-31-25-161-19-13-155-7-1-125-49-75(113-119-125)61-173-67-111(68-174-62-76-50-126(120-114-76)2-8-156-14-20-162-26-32-168-38-44-181-106-100(150)94(144)88(138)82(56-132)187-106,69-175-63-77-51-127(121-115-77)3-9-157-15-21-163-27-33-169-39-45-182-107-101(151)95(145)89(139)83(57-133)188-107)73-179-74-112(70-176-64-78-52-128(122-116-78)4-10-158-16-22-164-28-34-170-40-46-183-108-102(152)96(146)90(140)84(58-134)189-108,71-177-65-79-53-129(123-117-79)5-11-159-17-23-165-29-35-171-41-47-184-109-103(153)97(147)91(141)85(59-135)190-109)72-178-66-80-54-130(124-118-80)6-12-160-18-24-166-30-36-172-42-48-185-110-104(154)98(148)92(142)86(60-136)191-110/h49-54,81-110,131-154H,1-48,55-74H2,(H6,113,114,115,116,117,118,119,120,121,122,123,124)/p+1/t81?,82?,83?,84?,85?,86?,87-,88-,89?,90-,91+,92?,93+,94?,95?,96?,97+,98?,99?,100?,101?,102?,103?,104?,105-,106?,107-,108?,109-,110?,111?,112?/m1/s1.
What are the key properties of (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
(6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol has a molecular weight of 2777.92 g/mol, XLogP of -19.43, 112 rotatable bonds, 31 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(hydroxymethyl)-6-[2-[2-[2-[2-[5-[[2-[[3-[2-[2-[2-[2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[2-[[3-[2-[2-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]methoxymethyl]-2-[[1-[2-[2-[2-[2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-3-[[1-[2-[2-[2-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propoxy]methyl]-1,2-dihydrotriazol-3-yl]ethoxy]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 176795420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).