CID 656600 - PubChem

Compound Summary (CID 656600)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 656600

Create Date: 2005-06-24

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		351.353889 [g/mol]
Molecular Formula		C₁₃H₁₈N₃NaO₅S
H-Bond Donor		1
H-Bond Acceptor		7
Rotatable Bond Count		3

Exact Mass		351.086486
MonoIsotopic Mass		351.086486
Topological Polar Surface Area		93.4
Heavy Atom Count		23
Formal Charge		0
Complexity		533
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		3

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 585973, Version: 1, Same
SID 7848825, Version: 1, Same
SID 9268065, Version: 1, Same
SID 24869965, Version: 1, Same