| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 18 | Yes |
Popular Name: 1,3-Adamantanediacetic acid 1,3-Adamantanediacetic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 17768-28-4
2,2'-(5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiacetic acid
2,2'-(Adamantane-1,3-diyl)diacetic acid
2,2'-tricyclo[3.3.1.13,7]decane-1,3-diyldiacetic acid
2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiacetic acid
2-[3-(carboxymethyl)-1-adamantyl]acetic acid
CARBOXYMETHYLADAMANTYLACETICACI
tricyclo[3.3.1.13,7]decane-1,3-diacetic acid
| 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) | 1.80 | 8.44 | -91.24 | 0 | 4 | -2 | 80 | 250.294 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 6.46 | -47.71 | 1 | 4 | -1 | 77 | 251.302 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 4.48 | -9.63 | 2 | 4 | 0 | 75 | 252.31 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 237 | TCI |
| Warnings | IRRITANT | Matrix Scientific |
