chempirical

Kasugamycin hydrochloride

C14H26ClN3O9CAS 19408-46-9415.82 g/mol

Open in Covalent MOL file
OOOHOHOHOHHONH2NH2NOHOHCl
AcetalAlcoholAmidineCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C14H26ClN3O9
Molar mass
415.82 g/mol
Exact mass
415.1358 Da
Melting point
202–204 °C (decomposes)
logP
-4.12Crippen estimate
Polar surface area
221.3 Ų
H-bond donors / acceptors
8 / 10
Rotatable bonds
3
Stereocentres
R, R, S, R, S, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
19408-46-9
SMILES
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](N)C[C@@H]1N=C(N)C(=O)O.Cl
InChIKey
ZDRBJJNXJOSCLR-NZXABURVSA-N
InChI
InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-;/m1./s1

Weigh it out

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

Names and synonyms

4 names
  • D-Chiro-Inositol, 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranosyl]-, hydrochloride (1:1)
  • Kasugamycin, monohydrochloride
  • D-Chiro-Inositol, 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranosyl]-, monohydrochloride
  • Kasumin

Work with Kasugamycin hydrochloride

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

Kasugamycin6980-18-394 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook