CID 25202138 - PubChem

Compound Summary (CID 25202138)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 25202138

Create Date: 2009-03-31

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		1011.79846 [g/mol]
Molecular Formula		C₂₈H₃₉N₂O₃₂S₃^-5
XLogP3-AA		-8.6
H-Bond Donor		9
H-Bond Acceptor		32
Rotatable Bond Count		13

Exact Mass		1011.064805
MonoIsotopic Mass		1011.064805
Topological Polar Surface Area		569
Heavy Atom Count		65
Formal Charge		-5
Complexity		1980
Isotope Atom Count		0
Defined Atom Stereocenter Count		20
Undefined Atom Stereocenter Count		0
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 57392088, Version: 1, Same
SID 57392088, Version: 2, Same
SID 57392088, Version: 3, Same
SID 57392088, Version: 4, Same