8''-Hydroxypactamycin
[CAS# 104820-97-5]

Identification

• Name: 8''-Hydroxypactamycin
• Synonyms: [(1S,2R,3R,4S,5S)-4-Amino-3-(Dimethylcarbamoylamino)-1,2-Dihydroxy-5-[[3-(2-Hydroxyacetyl)Phenyl]Amino]-3-(1-Hydroxyethyl)-2-Methyl-Cyclopentyl]Methyl 2-Hydroxy-6-Methyl-Benzoate; 2-Hydroxy-6-Methylbenzoic Acid [(1S,2R,3R,4S,5S)-4-Amino-3-[(Dimethylamino-Oxomethyl)Amino]-1,2-Dihydroxy-3-(1-Hydroxyethyl)-5-[[3-(2-Hydroxy-1-Oxoethyl)Phenyl]Amino]-2-Methylcyclopentyl]Methyl Ester; 2-Hydroxy-6-Methyl-Benzoic Acid [(1S,2R,3R,4S,5S)-4-Amino-3-(Dimethylcarbamoylamino)-5-[(3-Glycoloylphenyl)Amino]-1,2-Dihydroxy-3-(1-Hydroxyethyl)-2-Methyl-Cyclopentyl]Methyl Ester
• Molecular Formula: C₂₈H₃₈N₄O₉
• Molecular Weight: 574.63
• CAS Registry Number: 104820-97-5
• SMILES: [C@]2(NC(=O)N(C)C)([C@@](O)([C@](O)([C@@H](NC1=CC=CC(=C1)C(=O)CO)[C@@H]2N)COC(=O)C3=C(O)C=CC=C3C)C)C(O)C
• InChI: 1S/C28H38N4O9/c1-15-8-6-11-19(35)21(15)24(37)41-14-27(40)23(30-18-10-7-9-17(12-18)20(36)13-33)22(29)28(16(2)34,26(27,3)39)31-25(38)32(4)5/h6-12,16,22-23,30,33-35,39-40H,13-14,29H2,1-5H3,(H,31,38)/t16?,22-,23-,26-,27+,28-/m0/s1
• InChIKey: REZOEBXINKYJRQ-HTTUFWJVSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 817.455°C at 760 mmHg (Cal.)
• Flash point: 448.181°C (Cal.)