Home Other Building Blocks COproporphyrinITetramethylEster

COproporphyrinITetramethylEster

CAS No.:
25767-20-8
Catalog Number:
AG003P2E
Molecular Formula:
C40H46N4O8
Molecular Weight:
710.8152
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Product Description
Catalog Number:
AG003P2E
Chemical Name:
COproporphyrinITetramethylEster
CAS Number:
25767-20-8
Molecular Formula:
C40H46N4O8
Molecular Weight:
710.8152
MDL Number:
MFCD00079038
IUPAC Name:
methyl 3-[7,12,17-tris(3-methoxy-3-oxopropyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoate
InChI:
InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20,41-42H,9-16H2,1-8H3
InChI Key:
GUNJUBKEECHMKZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1=C(C)C2=Cc3[nH]c(c(c3CCC(=O)OC)C)C=C3N=C(C=c4[nH]c(=CC1=N2)c(C)c4CCC(=O)OC)C(=C3CCC(=O)OC)C
EC Number:
247-253-5
NSC Number:
89196
Properties
Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
710.332g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
710.828g/mol
Monoisotopic Mass:
710.332g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties