Home Carbonyls Bis(acetoxymethyl) 2,2'-((2-(5-((acetoxymethoxy)carbonyl)oxazol-2-yl)-5-(2-(2-(bis(2-(acetoxymethoxy)-2-oxoethyl)amino)-5-methylphenoxy)ethoxy)benzofuran-6-yl)azanediyl)diacetate

Bis(acetoxymethyl) 2,2'-((2-(5-((acetoxymethoxy)carbonyl)oxazol-2-yl)-5-(2-(2-(bis(2-(acetoxymethoxy)-2-oxoethyl)amino)-5-methylphenoxy)ethoxy)benzofuran-6-yl)azanediyl)diacetate

CAS No.:
108964-32-5
Catalog Number:
AG007TSU
Molecular Formula:
C44H47N3O24
Molecular Weight:
1001.8497
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$248
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Product Description
Catalog Number:
AG007TSU
Chemical Name:
Bis(acetoxymethyl) 2,2'-((2-(5-((acetoxymethoxy)carbonyl)oxazol-2-yl)-5-(2-(2-(bis(2-(acetoxymethoxy)-2-oxoethyl)amino)-5-methylphenoxy)ethoxy)benzofuran-6-yl)azanediyl)diacetate
CAS Number:
108964-32-5
Molecular Formula:
C44H47N3O24
Molecular Weight:
1001.8497
MDL Number:
MFCD00036976
IUPAC Name:
acetyloxymethyl 2-[6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C44H47N3O24/c1-25-7-8-32(46(16-39(53)65-20-60-26(2)48)17-40(54)66-21-61-27(3)49)35(11-25)58-9-10-59-36-12-31-13-37(43-45-15-38(71-43)44(57)69-24-64-30(6)52)70-34(31)14-33(36)47(18-41(55)67-22-62-28(4)50)19-42(56)68-23-63-29(5)51/h7-8,11-15H,9-10,16-24H2,1-6H3
InChI Key:
VPSRLGDRGCKUTK-UHFFFAOYSA-N
SMILES:
CC(=O)OCOC(=O)CN(c1cc2oc(cc2cc1OCCOc1cc(C)ccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c1ncc(o1)C(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
Properties
Complexity:
1780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1001.255g/mol
Formal Charge:
0
Heavy Atom Count:
71  
Hydrogen Bond Acceptor Count:
27  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1001.857g/mol
Monoisotopic Mass:
1001.255g/mol
Rotatable Bond Count:
37  
Topological Polar Surface Area:
327A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties