AC1MHUZX

[(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-(2-chloroethylcarbamoylamino)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate

Also Known As: Urea, 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-, 5'-(p-nitrobenzoate)|[(6R)-2-[4-[bis(2-chloroethyl)amino]phenyl]-4-(2-chloroethylcarbamoylamino)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate|2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)imino](hydroxy)methyl}-5-O-(4-nitrobenzoyl)-D-glycero-pentofuranosylamine|2,3-O-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-N-{[(2-chloroethyl)imino](hydroxy)methyl}-5-O-(4-nitrobenzoyl)pentofuranosylamine

Molecular Formula	C26H29Cl3N4O8
Molecular Weight	630.1051 g/mol
LogP	3.7813
Topological Polar Surface Area	141.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	630.1051
Monoisotopic Mass	630.1051
Heavy Atoms	41
Complexity	1184.259

Chemical Identifiers

CAS Number	74692-68-5
SMILES	C1=CC(=CC=C1C2OC3[C@H](OC(C3O2)NC(=O)NCCCl)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(CCCl)CCCl