Kasugamycin hydrochloride

C14H26ClN3O9CAS 19408-46-9415.82 g/mol

Open in Covalent MOL file
OOOHOHOHOHHONH2NNH2OHOHCl
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

Hazards

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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Kasugamycin6980-18-3Free base

Elsewhere

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