10-[(4-Amino-6-methyltetrahydro-2H-pyran-2-yl)oxy]-8-glycoloyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione
[CAS# 63950-06-1]

Identification

• Name: 10-[(4-Amino-6-methyltetrahydro-2H-pyran-2-yl)oxy]-8-glycoloyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione
• Synonyms: (2S-(2α(8R*,10R*),4β,6β))-10-[(4-Aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; 4'-Deoxyadriamycin; 4'-deoxydoxorubicin
• Molecular Formula: C₂₇H₂₉NO₁₀
• Molecular Weight: 527.52
• CAS Registry Number: 63950-06-1
• EINECS: 264-575-1
• SMILES: O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(CC(N)C4)C
• InChI: 1S/C27H29NO10/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3
• InChIKey: ITSGNOIFAJAQHJ-UHFFFAOYSA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 765.792°C at 760 mmHg (Cal.)
• Flash point: 416.936°C (Cal.)