Tetrahydrospectinomycin
[CAS# 72244-45-2]

Identification

• Name: Tetrahydrospectinomycin
• Synonyms: Phenylmethyl N-[3-(3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,4,6-Trihydroxy-5-(Methyl-(Phenylmethoxycarbonyl)Amino)Cyclohexyl]-N-Methyl-Carbamate; N-[3-[(3,4-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2,4,6-Trihydroxy-5-[Methyl-[Oxo-(Phenylmethoxy)Methyl]Amino]Cyclohexyl]-N-Methylcarbamic Acid Phenylmethyl Ester; N-[3-(Benzyloxycarbonyl-Methyl-Amino)-5-(3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,4,6-Trihydroxy-Cyclohexyl]-N-Methyl-Carbamic Acid Benzyl Ester
• Molecular Formula: C₃₀H₄₀N₂O₁₁
• Molecular Weight: 604.65
• CAS Registry Number: 72244-45-2
• SMILES: C4=C(COC(N(C1C(C(C(C(C1O)OC2C(C(CC(O2)C)O)O)O)N(C(=O)OCC3=CC=CC=C3)C)O)C)=O)C=CC=C4
• InChI: 1S/C30H40N2O11/c1-17-14-20(33)23(34)28(42-17)43-27-25(36)21(31(2)29(38)40-15-18-10-6-4-7-11-18)24(35)22(26(27)37)32(3)30(39)41-16-19-12-8-5-9-13-19/h4-13,17,20-28,33-37H,14-16H2,1-3H3
• InChIKey: SPNSXDDNTCSXTH-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 798.44°C at 760 mmHg (Cal.)
• Flash point: 436.681°C (Cal.)