CID 23724758 - PubChem

Compound Summary (CID 23724758)

Table of Contents

Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 23724758

Create Date: 2008-02-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		875.671946 [g/mol]
Molecular Formula		C₂₈H₄₄N₇O₁₇P₃S
XLogP3		-3.5
H-Bond Donor		9
H-Bond Acceptor		22
Rotatable Bond Count		22

Exact Mass		875.172724
MonoIsotopic Mass		875.172724
Topological Polar Surface Area		389
Heavy Atom Count		56
Formal Charge		0
Complexity		1580
Isotope Atom Count		0
Defined Atom Stereocenter Count		4
Undefined Atom Stereocenter Count		1
Defined Bond Stereocenter Count		1
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 47205764, Version: 1, Same
SID 47205764, Version: 2, Same
SID 47205764, Version: 3, Same
SID 47205764, Version: 4, Same
SID 47205764, Version: 5, Same