Monomethyl Auristatin E (CAS 474645-27-7) — formula C39H67N5O7, molecular weight 718.0; category organic chemicals.
| CAS Number | 474645-27-7 |
|---|---|
| Molecular Formula | C39H67N5O7 |
| Molecular Weight | 718.0 |
| LogP | 4.1 |
| Category | Organic Chemicals |
Monomethyl Auristatin E is a carbon-based organic compound with CAS registry number 474645-27-7 and molecular formula C39H67N5O7 (molecular weight 718.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 474645-27-7
Its molecular formula C39H67N5O7 comprises 39 C, 67 H, 5 N, 7 O atoms.
Also known as: Monomethyl Auristatin E · 单甲基奥瑞他汀E
Category: organic chemicals
The CAS registry number of Monomethyl Auristatin E is 474645-27-7.
Molecular formula C39H67N5O7, molecular weight 718.0.
It is also registered under: Monomethyl Auristatin E, 单甲基奥瑞他汀E.
Category: Organic Chemicals.
Independent reference data for Monomethyl Auristatin E (CAS 474645-27-7), compiled from public chemistry databases.
| CAS Registry Number | 474645-27-7 |
|---|---|
| PubChem CID | 11542188 |
| Molecular formula | C39H67N5O7 |
| IUPAC name | (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide |
| UNII (FDA) | V7I58RC5EJ |
| Molecular Weight | 718.0 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 20 |
| Exact Mass | 717.50404949 |
| Monoisotopic Mass | 717.50404949 |
| Topological Polar Surface Area | 150 |
| Heavy Atom Count | 51 |
Monomethyl auristatin E; 474645-27-7; MMAE; Monomethylauristatin E; MMAE peptide; V7I58RC5EJ; SGD-1010; DTXSID101028844; RefChem:159590; DTXCID801514480; MFCD22124498; MMAE (Monomethyl auristatin E); Monomethyl auristatin E (GMP); [3H]-Vedotin; UNII-V7I58RC5EJ; Monomethyl auristatin E (MMAE)
| Reported hazard statements | H300, H330 (20%), H302 (60%), H315 (40%), H319 (40%), H335 (40%), H340 (20%), H341 (20%) |
|---|
H300+H330 (20%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
H300 (40%): Fatal if swallowed [Danger Acute toxicity, oral]
Monomethyl Auristatin E · CAS 474645-27-7 · C39H67N5O7. UNII V7I58RC5EJ.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 单甲基奥瑞他汀E