chempirical

Cytochrome C

C42H52FeN8O6S2CAS 9007-43-6884.89 g/mol

Open in Covalent MOL file
N−NNN−SONHNH2SOHNNH2OHOOHOFe2+
AlkeneAmideCarboxylic acidPrimary amineSulfide

Properties

Molecular formula
C42H52FeN8O6S2
Molar mass
884.89 g/mol
Exact mass
884.2801 Da
logP
4.47Crippen estimate
Polar surface area
238.8 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
16

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
9007-43-6
SMILES
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)SCC(C(=O)NC)N)C)C(C)SCC(C(=O)NC)N)C)CCC(=O)O)CCC(=O)O.[Fe+2]
InChIKey
WFVBWSTZNVJEAY-UHFFFAOYSA-L
InChI
InChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Cromoci
  • Landrax
  • Cytorest
  • Cytomac P
  • Ferrocytochrome c
  • Ferricytochrome c
  • Microperoxidase
  • Cytochrome CymA

Work with Cytochrome C

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

Hematoporphyrin dihydrochloride17696-69-437 % similar Hematoporphyrin14459-29-136 % similar Heme B14875-96-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook