| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2008 | 32 | Yes |
Popular Name: Pteroylglutamic acid Pteroylglutamic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59-30-3 , 65165-92-6 , 75708-92-8
2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
glutamic acid, N-[4-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, dihydrate
N-(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)glutamic acid dihydrate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.37 | 4.25 | -128.97 | 5 | 13 | -2 | 219 | 439.388 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.91 | 2.17 | -174.48 | 4 | 13 | -3 | 222 | 438.38 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -2.37 | 2.27 | -73.51 | 6 | 13 | -1 | 216 | 440.396 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 250 °C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Melting_Point | ca 250? dec. | Alfa-Aesar |
| Melting_Point | ca 250° dec. | Alfa-Aesar |
| Therapy | hematopoietic vitamin | SMDC Pharmakon |
