chempirical

Dracorhodin perochlorate

C17H15ClO7CAS 125536-25-6366.75 g/mol

Open in Covalent MOL file
HOO+OO−ClOOO
EtherPhenol

Properties

Molecular formula
C17H15ClO7
Molar mass
366.75 g/mol
Exact mass
366.0506 Da
logP
3.55Crippen estimate
Polar surface area
115.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
125536-25-6
SMILES
CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O
InChIKey
KRTYZFUODYMZPG-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O3.ClHO4/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)

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Names and synonyms

1 names
  • Dracorhodin perchlorate

Work with Dracorhodin perochlorate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rubiadin 1-methyl ether7460-43-737 % similar Galangin 3-methyl ether6665-74-332 % similar Wogonin632-85-931 % similar Oroxylin A480-11-530 % similar Luteolinidin1154-78-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Malvidin643-84-5

Elsewhere

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