CID 56982 - PubChem

Compound Summary (CID 56982)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 56982

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		359.354429 [g/mol]
Molecular Formula		C₁₀H₁₄N₃NaO₆S₂
H-Bond Donor		2
H-Bond Acceptor		9
Rotatable Bond Count		7

Exact Mass		359.022171
MonoIsotopic Mass		359.022171
Topological Polar Surface Area		186
Heavy Atom Count		22
Formal Charge		0
Complexity		464
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		1
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 194167, Version: 1, Same
SID 194167, Version: 2, Same
SID 8184990, Version: 1, Same