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Baumycin A2

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Name

Baumycin A2

EINECS N/A
CAS No. 64253-71-0 Density 1.45g/cm3
PSA 224.53000 LogP 2.24790
Solubility N/A Melting Point 187°C
Formula C34H43 N O13 Boiling Point 897.4°C at 760 mmHg
Molecular Weight 673.78 Flash Point 496.5°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 64253-71-0 (8-acetyl-10-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6 -methyl-oxan-2-yl]oxy-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7H-tetr acene-5,12-dione) Hazard Symbols N/A
Synonyms

5,12-Naphthacenedione,8-acetyl-10-[[3-amino-2,3,6-trideoxy-4-O-[3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl]-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S-cis)-; Baumycin A2

 

Baumycin A2 Chemical Properties

Molecular Structure of Baumycin A2 (CAS NO. 64253-71-0):

IUPAC Name: 9-Acetyl-7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione  
Molecular Formula: C34H43NO13
Molecular Weight: 673.704120 g/mol
XLogP3: 2.2
H-Bond Donor: 6
H-Bond Acceptor: 14
Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)OC(CC(C)O)OC(C)CO
InChI: InChI=1S/C34H43NO13/c1-14(37)9-23(45-15(2)13-36)48-33-16(3)46-24(10-20(33)35)47-22-12-34(43,17(4)38)11-19-26(22)32(42)28-27(30(19)40)29(39)18-7-6-8-21(44-5)25(18)31(28)41/h6-8,14-16,20,22-24,33,36-37,40,42-43H,9-13,35H2,1-5H3
InChIKey: MWURQTZZKGQQIE-UHFFFAOYSA-N
Index of Refraction: 1.643
Molar Refractivity: 167.35 cm3
Molar Volume: 462.5 cm3
Surface Tension: 76.9 dyne/cm
Density: 1.45 g/cm3
Flash Point: 496.5 °C
Enthalpy of Vaporization: 136.66 kJ/mol
Boiling Point: 897.4 °C at 760 mmHg
Vapour Pressure of Baumycin A2 (CAS NO. 64253-71-0): 1.25E-34 mmHg at 25 °C

Baumycin A2 Toxicity Data With Reference

1.    

pic-esc 50 ng/plate

    CNREA8    Cancer Research, 43 (1983),2819.
2.    

dni-mus:leu 1900 nmol/L

    JANTAJ    Journal of Antibiotics, 34 (1981),1596.
3.    

oms-mus:leu 710 nmol/L

    JANTAJ    Journal of Antibiotics, 34 (1981),1596.
4.    

ipr-mus LD50:15 mg/kg

    JANTAJ    Journal of Antibiotics, 31 (1978),78-68.

Baumycin A2 Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Baumycin A2 Specification

  Baumycin A2 with cas registry number of 64253-71-0 is also called for 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-4-O-(3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)- .

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