CID 5284437 - PubChem

Compound Summary (CID 5284437)

Table of Contents

Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 5284437

Create Date: 2005-07-19

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		496.8949 [g/mol]
Molecular Formula		C₂₂H₂₅ClN₂O₉
H-Bond Donor		8
H-Bond Acceptor		11
Rotatable Bond Count		1

Exact Mass		496.124858
MonoIsotopic Mass		496.124858
Topological Polar Surface Area		202
Heavy Atom Count		34
Formal Charge		0
Complexity		1000
Isotope Atom Count		0
Defined Atom Stereocenter Count		6
Undefined Atom Stereocenter Count		0
Defined Bond Stereocenter Count		1
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 585120, Version: 3, Same
SID 585120, Version: 4, Same
SID 585120, Version: 5, Same
SID 585120, Version: 6, Same
SID 7848659, Version: 2, Same
SID 7848659, Version: 3, Same
SID 7848659, Version: 4, Same
SID 7848659, Version: 5, Same
SID 7848659, Version: 6, Same
SID 7852589, Version: 1, Same
SID 7852589, Version: 2, Same
SID 24439542, Version: 1, Same
SID 26757862, Version: 2, Same
SID 48414274, Version: 1, Same
SID 48423878, Version: 1, Same
SID 48425473, Version: 1, Same
SID 48491862, Version: 1, Same
SID 48491862, Version: 3, Same
SID 121264393, Version: 1, Same