Home Other Building Blocks Hexadecanoic Acid (1R)-1-[8-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)aMino]-3-hydroxy-3-oxido-8-thioxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl Ester

Hexadecanoic Acid (1R)-1-[8-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)aMino]-3-hydroxy-3-oxido-8-thioxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl Ester

CAS No.:
87706-98-7
Catalog Number:
AG00GWVO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GWVO
Chemical Name:
Hexadecanoic Acid (1R)-1-[8-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)aMino]-3-hydroxy-3-oxido-8-thioxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl Ester
CAS Number:
87706-98-7
MDL Number:
MFCD31563427
IUPAC Name:
[(2R)-3-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
InChI:
InChI=1S/C58H85N2O13PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-54(63)68-42-47(71-55(64)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-70-74(66,67)69-38-37-59-57(75)60-44-31-34-49-48(39-44)56(65)73-58(49)50-35-32-45(61)40-52(50)72-53-41-46(62)33-36-51(53)58/h31-36,39-41,47,61-62H,3-30,37-38,42-43H2,1-2H3,(H,66,67)(H2,59,60,75)/t47-/m1/s1
InChI Key:
LZNPLDBLBWZYIW-QZNUWAOFSA-N
Properties
Complexity:
1670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
1080.551g/mol
Formal Charge:
0
Heavy Atom Count:
75  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
1081.353g/mol
Monoisotopic Mass:
1080.551g/mol
Rotatable Bond Count:
41  
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.3  
Properties