CID 53129 - PubChem

Compound Summary (CID 53129)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 53129

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		634.619289 [g/mol]
Molecular Formula		C₂₅H₂₃N₈NaO₇S₂
H-Bond Donor		4
H-Bond Acceptor		13
Rotatable Bond Count		8

Exact Mass		634.102881
MonoIsotopic Mass		634.102881
Topological Polar Surface Area		262
Heavy Atom Count		43
Formal Charge		0
Complexity		1260
Isotope Atom Count		0
Defined Atom Stereocenter Count		2
Undefined Atom Stereocenter Count		1
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		2

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 191012, Version: 1, Same
SID 191012, Version: 2, Same