CID 32358 - PubChem

Compound Summary (CID 32358)

Table of Contents

Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 32358

Create Date: 2005-03-27

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		300.3077 [g/mol]
Molecular Formula		C₁₃H₂₀N₂O₆
XLogP3-AA		-1.7
H-Bond Donor		5
H-Bond Acceptor		7
Rotatable Bond Count		2

Exact Mass		300.132136
MonoIsotopic Mass		300.132136
Topological Polar Surface Area		142
Heavy Atom Count		21
Formal Charge		0
Complexity		491
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		6
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		1

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 174334, Version: 1, Same
SID 174334, Version: 2, Same
SID 174334, Version: 3, Same
SID 220384, Version: 1, Same
SID 220384, Version: 2, Same
SID 220384, Version: 3, Same
SID 220384, Version: 4, Same
SID 261475, Version: 1, Same
SID 711213, Version: 1, Mixture
SID 711213, Version: 2, Mixture
SID 711213, Version: 3, Mixture
SID 50161660, Version: 1, Same
SID 50240904, Version: 1, Mixture