CID 452258 - PubChem

Compound Summary (CID 452258)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 452258

Create Date: 2005-08-01

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		905.03262 [g/mol]
Molecular Formula		C₄₇H₆₈O₁₇
XLogP3-AA		4
H-Bond Donor		4
H-Bond Acceptor		17
Rotatable Bond Count		13

Exact Mass		904.445651
MonoIsotopic Mass		904.445651
Topological Polar Surface Area		240
Heavy Atom Count		64
Formal Charge		0
Complexity		1830
Isotope Atom Count		0
Defined Atom Stereocenter Count		10
Undefined Atom Stereocenter Count		0
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		5
Covalently-Bonded Unit Count		1

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 597303, Version: 1, Same
SID 597303, Version: 2, Same