Kasugamycin

C14H25N3O9CAS 6980-18-3379.37 g/mol

Open in Covalent MOL file
OOOHOHOHOHHONH2NNH2OHO
AcetalAlcoholAmidineCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C14H25N3O9
Molar mass
379.37 g/mol
Exact mass
379.1591 Da
logP
-4.54Crippen 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
6980-18-3
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
InChIKey
PVTHJAPFENJVNC-MHRBZPPQSA-N
InChI
InChI=1S/C14H25N3O9/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)/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

8 names
  • D-Chiro-Inositol, 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranosyl]-
  • 3-O-[2-Amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranosyl]-D-chiro-inositol
  • KSM
  • Kasumin L
  • Kasumin 2L
  • Kasu B
  • NSC 100858
  • Kasumin 4WP

Work with Kasugamycin

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.

Kasugamycin hydrochloride19408-46-9Salt

Similar compounds

Amikacin37517-28-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia