RefChem:387252
[(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
Also Known As: [(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate|Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2-chloroethyl)-3-nitroso-, 5'-(p-nitrobenzoate)|2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)(nitroso)amino](hydroxy)methylidene}-5-O-(4-nitrobenzoyl)-D-glycero-pentofuranosylamine|2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)(nitroso)amino](hydroxy)methylidene}-5-O-(4-nitrobenzoyl)pentofuranosylamine
| Molecular Formula | C26H28Cl3N5O9 |
|---|---|
| Molecular Weight | 659.0953 g/mol |
| LogP | 4.1751 |
| Topological Polar Surface Area | 162.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 659.0953 |
| Monoisotopic Mass | 659.0953 |
| Heavy Atoms | 43 |
| Complexity | 1267.9137 |
Chemical Identifiers
| CAS Number | 74692-70-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2OC3[C@H](OC(C3O2)NC(=O)N(CCCl)N=O)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(CCCl)CCCl |
Product Overview
RefChem:387252 (CAS 74692-70-9), with molecular formula C26H28Cl3N5O9 and molecular weight 659.0953 g/mol. IUPAC: [(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate.