chempirical

Inulinase

C51H69FeN6O9CAS 9025-67-6965.99 g/mol

Open in Covalent MOL file
HNO−OHONHNO−OHONHNO−OHONFe3+
AlcoholAlkeneKetoneSecondary amineTertiary amine

Properties

Molecular formula
C51H69FeN6O9
Molar mass
965.99 g/mol
Exact mass
965.4475 Da
logP
7.44Crippen estimate
Polar surface area
226.9 Ų
H-bond donors / acceptors
6 / 15
Rotatable bonds
21

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
9025-67-6
SMILES
CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.[Fe+3]
InChI
InChI=1S/3C17H23N2O3.Fe/c3*1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4;/h3*5-11,13,16,18,20H,1-4H3;/q3*-1;+3

Weigh it out

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

Names and synonyms

12 names
  • Inulase
  • E.C. 3.2.1.7
  • Endoinulinase
  • Fructoawamorin
  • Novozyme 230
  • Novozym 230
  • Fructozyme SP 230
  • 2,1-β-D-Fructan fructanohydrolase
  • Inulinase P 10X
  • Novozym 960
  • Sumizyme INS
  • Novozyme 960

Work with Inulinase

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

Trichostatin A58880-19-657 % similar 4-Dimethylaminoacetophenone2124-31-433 % similar 4-(Dimethylamino)benzoyl chloride4755-50-433 % similar 4-(Dimethylamino)benzoic acid619-84-133 % similar 4,4'-Bis(dimethylamino)benzophenone90-94-832 % similar 4-(Dimethylamino)benzohydrazide19353-92-531 % similar 4-(Dimethylamino)cinnamic acid1552-96-130 % similar

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

Elsewhere

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