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8-O-Methyltetrangomycin

8-O-Methyltetrangomycin structure

CAS No:
117620-87-8
Formula:
C20H16O5
Chemical Name:
8-O-Methyltetrangomycin
Synonyms:
Benz[a]anthracene-1,7,12(2H)-trione,3,4-dihydro-3-hydroxy-8-methoxy-3-methyl-,(3R)-;(3R)-3,4-Dihydro-3-hydroxy-8-methoxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione;MM 47755;6-Deoxy-8-O-methylrabelomycin;8-O-Methyltetrangomycin;(-)-8-O-Methyltetrangomycin

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8-O-Methyltetrangomycin Basic Attributes

Molecular Weight：

336.34

Exact Mass：

336.34

Characteristics

PSA：

80.7 Å²

Density：

1.390±0.06 g/cm3

Melting Point：

169-170 °C

Boiling Point：

583.3±50.0 °C(Predicted)

PKA：

14.02±0.20

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

22-50

safety instructions：

Marks：

Xn,N

Drug Information

MeSH Entry Terms：

3,4-dihydro-3-hydroxy-8-methoxy-3-methyl-2H-benz(a)anthracene-1,7,12-trione

Computed Properties

Molecular Weight:336.3
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:336.09977361
Monoisotopic Mass:336.09977361
Topological Polar Surface Area:80.7
Heavy Atom Count:25
Complexity:613
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-O-Methyltetrangomycin

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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