TL;DR: D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- (CAS 143873-70-5) is a chemical compound with molecular formula C20H21IN8O5 and molecular weight 580.06793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-iodobenzoyl]amino]pentanedioic acid
Also Known As: D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)-, D-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl][methyl]amino]-3-iodobenzoyl]-, N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}-3-iodobenzoyl)-D-glutamic acid, N-[3-Iodo-4-[[(2,4-diaminopteridin-6-yl)methyl]methylamino]benzoyl]-D-glutamic acid, (2R)-2-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}-3-IODOPHENYL)FORMAMIDO]PENTANEDIOIC ACID
| Molecular Formula | C20H21IN8O5 |
| Molecular Weight | 580.06793 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 580.06793 Da |
| Heavy Atoms | 34 |
| Complexity | 748.0 |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O)I |
| InChIKey | NLNZJHFPUGKGTM-GFCCVEGCSA-N |
The XLogP value of -1.2 indicates that D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- is 143873-70-5.
The molecular formula of D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- is C20H21IN8O5.
The molecular weight of D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3-iodobenzoyl)- is 580.06793 g/mol.
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