Name: Name:COproporphyrinITetramethylEster
Brand: Angene
SKU: AG003P2E
Rating: 90 (10 reviews)

COproporphyrinITetramethylEster

CAS No.:

25767-20-8

Catalog Number:

AG003P2E

Molecular Formula:

C40H46N4O8

Molecular Weight:

710.8152

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

Complexity:

1240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

710.332g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

710.828g/mol

Monoisotopic Mass:

710.332g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

163A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9