 Home > Encyclopedia > 1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate

1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate

1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate structure

CAS No:
116521-53-0
Formula:
C34H37FO15
Chemical Name:
1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate
Synonyms:
Heptanedioic acid,1-[2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] ester;Heptanedioic acid,mono[2-[4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] ester,(2S-cis)-;Heptanedioic acid,mono[2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] ester;1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate;FAD 104;ME 2303;Fluoro-doxorubicin;MEJ 2303;262281-26-5

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1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate Basic Attributes

Molecular Weight：

704.6 g/mol

Exact Mass：

704.65

UNII：

BD89KYN03D

DSSTox ID：

DTXSID70151417

Characteristics

PSA：

244 Å²

Melting Point：

108-113 °C

Drug Information

MeSH Entry Terms：

7-O-(2,6-dideoxy-2-fluoro-alpha-talopyranosyl)pimelyladriamcycinone

Computed Properties

Molecular Weight:704.6
XLogP3:2.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:13
Exact Mass:704.21164863
Monoisotopic Mass:704.21164863
Topological Polar Surface Area:244
Heavy Atom Count:50
Complexity:1290
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-[(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl] heptanedioate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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