3-(3-(2-Chloroethyl)-3-Nitrosoureido)-3-Deoxyallose
[CAS# 81428-46-8]

Identification

• Name: 3-(3-(2-Chloroethyl)-3-Nitrosoureido)-3-Deoxyallose
• Synonyms: 1-(2-Chloroethyl)-1-Nitroso-3-[(2R,5S)-2,3,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Urea; 1-(2-Chloroethyl)-1-Nitroso-3-[(2R,5S)-2,3,5-Trihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Urea; 1-(2-Chloroethyl)-1-Nitroso-3-[(2R,5S)-2,3,5-Trihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Urea
• Molecular Formula: C₉H₁₆ClN₃O₇
• Molecular Weight: 313.69
• CAS Registry Number: 81428-46-8
• SMILES: [C@H]1(O)C(NC(=O)N(N=O)CCCl)C(O)[C@@H](OC1CO)O
• InChI: 1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-6(15)4(3-14)20-8(17)7(5)16/h4-8,14-17H,1-3H2,(H,11,18)/t4?,5?,6-,7?,8-/m1/s1
• InChIKey: ZKTZGYZXXCOLPV-UKPHHSARSA-N

Properties

• Density: 1.858g/cm³ (Cal.)