CID 82289 - PubChem

Compound Summary (CID 82289)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 82289

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		324.350149 [g/mol]
Molecular Formula		C₈H₁₇N₂NaO₆S₂
H-Bond Donor		1
H-Bond Acceptor		8
Rotatable Bond Count		5

Exact Mass		324.042573
MonoIsotopic Mass		324.042573
Topological Polar Surface Area		135
Heavy Atom Count		19
Formal Charge		0
Complexity		428
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		0
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		2

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 659220, Version: 1, Same
SID 659220, Version: 2, Same
SID 10219298, Version: 1, Same