AC1L72QT
(3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Also Known As: (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate|Bis(3-hydroxy-2,2-dimethylpropyl) [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate|Carbamic acid,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, bis(3-hydroxy-2,2-dimethylpropyl) ester
| Molecular Formula | C22H32N4O8 |
|---|---|
| Molecular Weight | 480.22202 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 480.22202 |
| Monoisotopic Mass | 480.22202 |
| Heavy Atoms | 34 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 5230-80-8 |
|---|---|
| SMILES | CC(C)(CO)COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC(C)(C)CO)N3CC3 |
| InChIKey | IFHRTDFFFVFZOO-UHFFFAOYSA-N |
Product Overview
AC1L72QT (CAS 5230-80-8), with molecular formula C22H32N4O8 and molecular weight 480.22202 g/mol. IUPAC: (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate.
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