| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 16 | Yes |
Popular Name: Boc-Ile-OH Boc-Ile-OH
Find On: PubMed — Wikipedia — Google
CAS Numbers: 116194-21-9 , 13139-16-7 , 204138-23-8 , 55721-65-8 , [13139-16-7]
(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acid
(2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acid
2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acid
Boc-L-Isoleucine Hemihydrate [13139-16-7]; (Boc-lle-OH . 1/2 H2O)
BOC-L-ISOLEUCINE; [13139-16-7]
N-(tert-Butoxycarbonyl)-L-isoleucine
N-(tert-Butoxycarbonyl)-L-isoleucine Hemihydrate
| 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) | 2.33 | 0.44 | -51.8 | 1 | 5 | -1 | 78 | 230.284 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 60 | TCI |
| MP | 66-69 °C(lit.) | Indofine |
| Melting_Point | 67-70? | Alfa-Aesar |
| Melting_Point | 67-70° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
