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1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone

1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone structure

CAS No:
6118-39-4
Formula:
C11H17NO5
Chemical Name:
1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone
Synonyms:
3-acetyl-5-(D-arabino-tetrahydrobutyl)-2-methylpyrrole;VER I;Verrucarin I of VER I;WER I;VER I;6118-39-4;WER I;3-Acetyl-5-(D-arabino-tetrahydrobutyl)-2-methylpyrrole;DTXSID80210069;1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone

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1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone Basic Attributes

Molecular Weight：

243.26 g/mol

Exact Mass：

243.11067264 g/mol

DSSTox ID：

DTXSID80210069

Characteristics

PSA：

114 Å²

Drug Information

MeSH Entry Terms：

3-acetyl-5-(D-arabino-tetrahydrobutyl)-2-methylpyrrole

Computed Properties

Molecular Weight:243.26
XLogP3:-1.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:243.11067264
Monoisotopic Mass:243.11067264
Topological Polar Surface Area:114
Heavy Atom Count:17
Complexity:273
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrol-3-yl]ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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