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623946-72-5 | DEUTEROPORPHYRIN IX 2,4 BIS ETHYLENE GLYCOL
CAS No: 623946-72-5 Catalog No: AG00ED9X MDL No:MFCD08669579
Product Description
Catalog Number:
AG00ED9X
Chemical Name:
DEUTEROPORPHYRIN IX 2,4 BIS ETHYLENE GLYCOL
CAS Number:
623946-72-5
Molecular Formula:
C34H38N4O8
Molecular Weight:
630.6875
MDL Number:
MFCD08669579
IUPAC Name:
3-[18-(2-carboxyethyl)-8,13-bis(1,2-dihydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
InChI:
InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,37-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)
InChI Key:
XKEATSOEGBGLLF-UHFFFAOYSA-N
SMILES:
OCC(c1c2/C=C/3\N=C(C(=C3C)CCC(=O)O)/C=c/3\[nH]/c(=C\C4=N/C(=C\c(c1C)[nH]2)/C(=C4C)C(CO)O)/c(c3CCC(=O)O)C)O
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.269g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
630.698g/mol
Monoisotopic Mass:
630.269g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
213A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Three-dimensional structure-activity analysis of a series of porphyrin derivatives with anti-HIV-1 activity targeted to the V3 loop of the gp120 envelope glycoprotein of the human immunodeficiency virus type 1. | Journal of medicinal chemistry 19940415 |
| Specific inhibition of HIV-1 protease by boronated porphyrins. | Journal of medicinal chemistry 19920904 |
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