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94730-46-8

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Basic Information
CAS No.: 94730-46-8
Name: 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl (5xi)-2,3,6-trideoxy-3-morpholin-4-yl-alpha-L-threo-hexopyranoside
Article Data: 4
Molecular Structure:
Molecular Structure of 94730-46-8 (3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl (5xi)-2,3,6-trideoxy-3-morpholin-4-yl-alpha-L-threo-hexopyranoside)
Formula: C31H35NO11
Molecular Weight: 597.619
Density: 1.51g/cm3
Boiling Point: 805.6°Cat760mmHg
Flash Point: 441°C
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Chemistry

IUPAC Name: 9-Acetyl-6,9,11-trihydroxy-7-[(2R,4S,5R)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms of Morpholinodaunomycin (CAS NO.94730-46-8): CCRIS 5081
CAS NO: 94730-46-8
Molecular Formula: C31H35NO11
Molecular Weight : 597.6097
Molecular Structure:
H bond acceptors: 12
H bond donors: 4
Freely Rotating Bonds: 9
Polar Surface Area: 128.29 Å2
Index of Refraction: 1.678
Molar Refractivity: 148.46 cm3
Molar Volume: 393.5 cm3
Surface Tension: 82.3 dyne/cm
Density: 1.51 g/cm3
Flash Point: 441 °C
Enthalpy of Vaporization: 122.81 kJ/mol
Boiling Point: 805.6 °C at 760 mmHg
Vapour Pressure: 2.1E-27 mmHg at 25°C

Toxicity Data With Reference

1.    

dns-rat:lvr 2 mg/L

    CNREA8    Cancer Research. 44 (1984),5599.
2.    

otr-mus:fbr 5 µg/L

    CBTOE2    Cell Biology and Toxicology. 3 (1987),17.
3.    

msc-ham:lng 10 µg/L

    CNREA8    Cancer Research. 44 (1984),5599.

Safety Profile

Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When Morpholinodaunomycin (CAS NO.94730-46-8) is heated to decomposition, it emits toxic fumes of NOx.