Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
Also Known As: X-Pcnu|Rpcnu|ICIG 1164|ICIG 1163, (D-xylopyranosyl)-isomer|Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-|N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)urea|1-(2-chloroethyl)-1-nitroso-3-(2,3,4-tri-O-acetyl-beta-D-xylopy|2,3,4-tri-o-acetyl-n-[(2-chloroethyl)(nitroso)carbamoyl]-|A-d-xylopyranosylamine|1-(2-chloroethyl)-1-nitroso-3-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)urea|[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
| Molecular Formula | C14H20ClN3O9 |
|---|---|
| Molecular Weight | 409.0888 g/mol |
| LogP | 0.07 |
| Topological Polar Surface Area | 149.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.0888 |
| Heavy Atoms | 27 |
| Complexity | 588.2 |
Chemical Identifiers
| CAS Number | 58845-59-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O |
Product Overview
Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)- (CAS 58845-59-3), with molecular formula C14H20ClN3O9 and molecular weight 409.0888 g/mol. IUPAC: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate.
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