 Home > Encyclopedia > 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

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

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 structure

CAS No:
64253-71-0
Formula:
C34H43NO13
Chemical Name:
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
Synonyms:
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;(8S)-8-Acetyl-10α-[[3-amino-4-O-[3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl]-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8α,11-trihydroxy-1-methoxy-5,12-naphthacenedione;Baumycin A1;Baumycin A2;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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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 Basic Attributes

Molecular Weight：

673.712

Exact Mass：

673.273

Characteristics

PSA：

225

XLogP3：

2.2

Density：

1.2794 (rough estimate)

Melting Point：

187°C

Boiling Point：

897.4ºC at 760 mmHg

Flash Point：

496.5ºC

Refractive Index：

1.643

Toxicity：

Peritoneal-mouse LD50: 15 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Storage features：

Ventilated, low temperature and dry; stored separately from food materials in warehouse

Toxicity

Toxicity class：

most toxic

Computed Properties

Molecular Weight:673.7
XLogP3:2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:673.27344043
Monoisotopic Mass:673.27344043
Topological Polar Surface Area:225
Heavy Atom Count:48
Complexity:1170
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 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

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

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

SDS

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