[Synonyms]
10-formyl-THF
N10-formyl-THF
N10-formyl-H4F
10-formyl-H4PteGlu1
10-Formyltetrahydrofolate
n10-formyltetrahydrofolate
10-formyl-tetrahydrofolate
C00234
2800-34-2
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-[[4-[(2-amino-4-oxo-5,6,7,
8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]
pentanedioic acid
Canonical SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChI: InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)
12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,
5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/f/h22,24-25,29,33H,
21H2
10-formyl-THF
N10-formyl-THF
N10-formyl-H4F
10-formyl-H4PteGlu1
10-Formyltetrahydrofolate
n10-formyltetrahydrofolate
10-formyl-tetrahydrofolate
C00234
2800-34-2
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 473.43932 [g/mol] |
| Molecular Formula | C20H23N7O7 |
| XLogP | -3.2 |
| H-Bond Donor | 7 |
| H-Bond Acceptor | 11 |
| Rotatable Bond Count | 9 |
| Tautomer Count | 18 |
| Exact Mass | 473.165896 |
| MonoIsotopic Mass | 473.165896 |
| Topological Polar Surface Area | 216 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 911 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 2 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2-[[4-[(2-amino-4-oxo-5,6,7,
8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]
pentanedioic acid
Canonical SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChI: InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)
12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,
5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/f/h22,24-25,29,33H,
21H2
