Ascamycin
[CAS# 91432-48-3]

Identification

• Name: Ascamycin
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl N-(2-Aminopropanoyl)Sulfamate; N-(2-Amino-1-Oxopropyl)Sulfamic Acid [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; N-Alan
• Molecular Formula: C₁₃H₁₈ClN₇O₇S
• Molecular Weight: 451.84
• CAS Registry Number: 91432-48-3
• SMILES: [C@@H]1(CO[S](=O)(=O)NC(C(C)N)=O)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=C(N=C3N)Cl
• InChI: 1S/C13H18ClN7O7S/c1-4(15)11(24)20-29(25,26)27-2-5-7(22)8(23)12(28-5)21-3-17-6-9(16)18-13(14)19-10(6)21/h3-5,7-8,12,22-23H,2,15H2,1H3,(H,20,24)(H2,16,18,19)/t4?,5-,7-,8-,12-/m1/s1
• InChIKey: LZMCAAGVMFMSKC-IEJLNPMYSA-N

Properties

• Density: 2.121g/cm³ (Cal.)