CID 25202446 - PubChem

Compound Summary (CID 25202446)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 25202446

Create Date: 2009-03-31

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		396.3008 [g/mol]
Molecular Formula		C₁₄H₂₀O₁₃^-2
XLogP3-AA		-2.4
H-Bond Donor		4
H-Bond Acceptor		13
Rotatable Bond Count		4

Exact Mass		396.090391
MonoIsotopic Mass		396.090391
Topological Polar Surface Area		207
Heavy Atom Count		27
Formal Charge		-2
Complexity		530
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		10
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 57392604, Version: 1, Same
SID 57392604, Version: 2, Same
SID 57392604, Version: 3, Same
SID 57392604, Version: 4, Same
SID 57392604, Version: 5, Same