 Home > Encyclopedia > [(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 4-methylpentanoate

[(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 4-methylpentanoate

[(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 4-methylpentanoate structure

CAS No:
139159-01-6
Formula:
C23H33NO8
Chemical Name:
[(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 4-methylpentanoate
Synonyms:
AB 3217-C;AB-3217-C;139159-01-6;AB 3217-C;AB-3217-C;DTXSID40930377;AB-3217C;Pentanoic acid, 4-methyl-, decahydro-3,7-dihydroxy-11-(4-methoxyphenyl)-5,8-epoxy-5H-(1,5)dioxecino(3,2-b)pyrrol-6-yl ester;3,7-Dihydroxy-11-(4-methoxyphenyl)decahydro-5H-5,8-epoxy[1,5]dioxecino[3,2-b]pyrrol-6-yl 4-methylpentanoate

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[(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 4-methylpentanoate Basic Attributes

Molecular Weight：

451.5 g/mol

Exact Mass：

451.22061701 g/mol

Characteristics

PSA：

116 Å²

Drug Information

MeSH Entry Terms：

AB 3217-C

Computed Properties

Molecular Weight:451.5
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:451.22061701
Monoisotopic Mass:451.22061701
Topological Polar Surface Area:116
Heavy Atom Count:32
Complexity:625
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 4-methylpentanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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