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Home > Encyclopedia > pyren-1-ylmethyl hydrogen sulfate

pyren-1-ylmethyl hydrogen sulfate

pyren-1-ylmethyl hydrogen sulfate structure

pyren-1-ylmethyl hydrogen sulfate 

structure
  • CAS No:

    130965-73-0

  • Formula:

    C17H12O4S

  • Chemical Name:

    pyren-1-ylmethyl hydrogen sulfate

  • Synonyms:

    1-sulfooxymethylpyrene;1-sulfooxymethylpyrene, sodium salt;1-sulphooxymethylpyrene;1-Sulfooxymethylpyrene;130965-73-0;UNII-UYC2177X5N;UYC2177X5N;1-Hydroxymethylpyrene sulfate;CCRIS 4484;ACMC-20mtvb;1-Pyrenemethanol,1-(hydrogen sulfate);DTXSID00156819;Sulfuric acid (pyren-1-yl)methyl ester;Q27291333

pyren-1-ylmethyl hydrogen sulfate Basic Attributes

312.3 g/mol

312.04563003 g/mol

UYC2177X5N

DTXSID00156819

Characteristics

72 Ų

Drug Information

1-Sulfooxymethylpyrene is a known human metabolite of 1-hydroxymethylpyrene.

1-sulfooxymethylpyrene

Computed Properties

Molecular Weight:312.3
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:312.04563003
Monoisotopic Mass:312.04563003
Topological Polar Surface Area:72
Heavy Atom Count:22
Complexity:511
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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