Ta 077
[CAS# 70189-62-7]

Identification

• Name: Ta 077
• Synonyms: 3-(2-Chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-3-Nitroso-1-Sec-Butyl-Urea; 3-(2-Chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]-3-Nitroso-1-Sec-Butylurea; 3-(2-Chloroethyl)-1-[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-3-Nitroso-1-Sec-Butyl-Urea
• Molecular Formula: C₁₉H₃₄ClN₃O₁₂
• Molecular Weight: 531.94
• CAS Registry Number: 70189-62-7
• SMILES: [C@H]2(O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)N(C(=O)N(N=O)CCCl)C(CC)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
• InChI: 1S/C19H34ClN3O12/c1-3-8(2)23(19(31)22(21-32)5-4-20)17-14(29)13(28)16(10(7-25)33-17)35-18-15(30)12(27)11(26)9(6-24)34-18/h8-18,24-30H,3-7H2,1-2H3/t8?,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
• InChIKey: PJWCGDFLDQIALE-GBIBZUPHSA-N

Properties

• Density: 1.717g/cm³ (Cal.)
• Boiling point: 748.735°C at 760 mmHg (Cal.)
• Flash point: 406.621°C (Cal.)