CID 21967 - PubChem

Compound Summary (CID 21967)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 21967

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		390.31036 [g/mol]
Molecular Formula		C₁₂H₁₄CaO₁₂
H-Bond Donor		6
H-Bond Acceptor		12
Rotatable Bond Count		4

Exact Mass		390.011117
MonoIsotopic Mass		390.011117
Topological Polar Surface Area		220
Heavy Atom Count		25
Formal Charge		0
Complexity		232
Isotope Atom Count		0
Defined Atom Stereocenter Count		2
Undefined Atom Stereocenter Count		2
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		3

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 164670, Version: 1, Same
SID 164670, Version: 2, Same
SID 164670, Version: 3, Same