[2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide

C147H217N21O82 — CID 58165252

IUPAC[2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide
SMILESCC(CO)(CO)C(=O)OCC(CN=[N+]=[N-])(COC(=O)CCC(=O)OCC(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)OCC(COC(=O)C(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)(COC(=O)C(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)CCC(=O)OCC(C[N-][N+]#N)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)Cn1cc(COC(=O)c2cc3ccccc3oc2=O)nn1)COC(=O)C(C)(CO)CO
InChIInChI=1S/C147H217N21O82/c1-126(42-169,43-170)111(207)235-78-141(35-154-161-148,79-236-112(208)127(2,44-171)45-172)72-229-103(199)26-20-97(193)223-66-138(13,67-224-98(194)21-27-104(200)230-73-142(36-155-162-149,80-237-113(209)128(3,46-173)47-174)81-238-114(210)129(4,48-175)49-176)123(219)247-90-147(41-168-33-94(160-167-168)34-222-109(205)95-32-93-18-16-17-19-96(93)250-110(95)206,91-248-124(220)139(14,68-225-99(195)22-28-105(201)231-74-143(37-156-163-150,82-239-115(211)130(5,50-177)51-178)83-240-116(212)131(6,52-179)53-180)69-226-100(196)23-29-106(202)232-75-144(38-157-164-151,84-241-117(213)132(7,54-181)55-182)85-242-118(214)133(8,56-183)57-184)92-249-125(221)140(15,70-227-101(197)24-30-107(203)233-76-145(39-158-165-152,86-243-119(215)134(9,58-185)59-186)87-244-120(216)135(10,60-187)61-188)71-228-102(198)25-31-108(204)234-77-146(40-159-166-153,88-245-121(217)136(11,62-189)63-190)89-246-122(218)137(12,64-191)65-192/h16-19,32-33,169-192H,20-31,34-92H2,1-15H3
InChIKeyBYQXILCILVEJJA-UHFFFAOYSA-N
MW3590.42 g/mol
LogP-6.40
Rot. Bonds128

About [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide

[2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide (PubChem CID 58165252) has the molecular formula C147H217N21O82 and a molecular weight of 3590.42 g/mol. Its IUPAC name is [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide.

Molecular Properties

Compound Name[2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide
PubChem CID58165252
Molecular FormulaC147H217N21O82
Molecular Weight3590.42 g/mol
Exact Mass3588.35
IUPAC Name[2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide
SMILESCC(CO)(CO)C(=O)OCC(CN=[N+]=[N-])(COC(=O)CCC(=O)OCC(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)OCC(COC(=O)C(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)(COC(=O)C(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)CCC(=O)OCC(C[N-][N+]#N)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)Cn1cc(COC(=O)c2cc3ccccc3oc2=O)nn1)COC(=O)C(C)(CO)CO
InChIInChI=1S/C147H217N21O82/c1-126(42-169,43-170)111(207)235-78-141(35-154-161-148,79-236-112(208)127(2,44-171)45-172)72-229-103(199)26-20-97(193)223-66-138(13,67-224-98(194)21-27-104(200)230-73-142(36-155-162-149,80-237-113(209)128(3,46-173)47-174)81-238-114(210)129(4,48-175)49-176)123(219)247-90-147(41-168-33-94(160-167-168)34-222-109(205)95-32-93-18-16-17-19-96(93)250-110(95)206,91-248-124(220)139(14,68-225-99(195)22-28-105(201)231-74-143(37-156-163-150,82-239-115(211)130(5,50-177)51-178)83-240-116(212)131(6,52-179)53-180)69-226-100(196)23-29-106(202)232-75-144(38-157-164-151,84-241-117(213)132(7,54-181)55-182)85-242-118(214)133(8,56-183)57-184)92-249-125(221)140(15,70-227-101(197)24-30-107(203)233-76-145(39-158-165-152,86-243-119(215)134(9,58-185)59-186)87-244-120(216)135(10,60-187)61-188)71-228-102(198)25-31-108(204)234-77-146(40-159-166-153,88-245-121(217)136(11,62-189)63-190)89-246-122(218)137(12,64-191)65-192/h16-19,32-33,169-192H,20-31,34-92H2,1-15H3
InChIKeyBYQXILCILVEJJA-UHFFFAOYSA-N
XLogP-6.40
TPSA1568.89 Ų
H-Bond Donors24
H-Bond Acceptors91
Rotatable Bonds128
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003590.42
LogP ≤ 5-6.40
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1091

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide?
The IUPAC name of [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide (CID 58165252) is [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide.
What is the SMILES notation for [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide?
The canonical SMILES for [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide is CC(CO)(CO)C(=O)OCC(CN=[N+]=[N-])(COC(=O)CCC(=O)OCC(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)OCC(COC(=O)C(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)(COC(=O)C(C)(COC(=O)CCC(=O)OCC(CN=[N+]=[N-])(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)CCC(=O)OCC(C[N-][N+]#N)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)Cn1cc(COC(=O)c2cc3ccccc3oc2=O)nn1)COC(=O)C(C)(CO)CO.
What is the InChIKey of [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide?
The InChIKey is BYQXILCILVEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C147H217N21O82/c1-126(42-169,43-170)111(207)235-78-141(35-154-161-148,79-236-112(208)127(2,44-171)45-172)72-229-103(199)26-20-97(193)223-66-138(13,67-224-98(194)21-27-104(200)230-73-142(36-155-162-149,80-237-113(209)128(3,46-173)47-174)81-238-114(210)129(4,48-175)49-176)123(219)247-90-147(41-168-33-94(160-167-168)34-222-109(205)95-32-93-18-16-17-19-96(93)250-110(95)206,91-248-124(220)139(14,68-225-99(195)22-28-105(201)231-74-143(37-156-163-150,82-239-115(211)130(5,50-177)51-178)83-240-116(212)131(6,52-179)53-180)69-226-100(196)23-29-106(202)232-75-144(38-157-164-151,84-241-117(213)132(7,54-181)55-182)85-242-118(214)133(8,56-183)57-184)92-249-125(221)140(15,70-227-101(197)24-30-107(203)233-76-145(39-158-165-152,86-243-119(215)134(9,58-185)59-186)87-244-120(216)135(10,60-187)61-188)71-228-102(198)25-31-108(204)234-77-146(40-159-166-153,88-245-121(217)136(11,62-189)63-190)89-246-122(218)137(12,64-191)65-192/h16-19,32-33,169-192H,20-31,34-92H2,1-15H3.
What are the key properties of [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide?
[2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide has a molecular weight of 3590.42 g/mol, XLogP of -6.40, 128 rotatable bonds, 24 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-3-[2,2-bis[[3-[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxy-2-[[4-[2-(azidomethyl)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propoxy]-4-oxobutanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[4-[(2-oxochromene-3-carbonyl)oxymethyl]triazol-1-yl]propoxy]-2-methyl-3-oxopropoxy]-4-oxobutanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]propyl]-diazonioazanide is sourced from PubChem (CID 58165252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).