ChemSpider 2D Image | Neomycin B | C23H46N6O13

Neomycin B

  • Molecular FormulaC23H46N6O13
  • Average mass614.644 Da
  • Monoisotopic mass614.312256 Da
  • ChemSpider ID8075
  • defined stereocentres - 19 of 19 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Neomycin B
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-b-L-idopyranosyl)-b-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-a-D-glucopyranoside
(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl-2,6-diamino-2,6-didesoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
119-04-0 [RN]
1404-04-2 [RN]
2,6-Diamino-2,6-didésoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
204-292-2 [EINECS]
253
4BOC774388
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

USAF CB-19 [DBID]
72131_FLUKA [DBID]
AIDS005083 [DBID]
AIDS-005083 [DBID]
BRN 0101621 [DBID]
C01737 [DBID]
Caswell No. 595 [DBID]
CCRIS 5462 [DBID]
D05140 [DBID]
EPA Pesticide Chemical Code 006303 [DBID]
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  • Miscellaneous
    • Appearance:

      faint yellow solid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      SCU-RAT LD50 200 mg kg-1, ORL-MUS LD50 > 8000 mg(base) kg-1, IPR-MUS LD50 305 mg kg-1, SCU-MUS LD50 190 mg kg-1, IVN-MUS LD50 17 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      D09AA01 Wikidata Q4492348
      R01AX08 Wikidata Q4492348
      S01AA07 Wikidata Q4492348
      Safety glasses. Oxford University Chemical Safety Data (No longer updated) More details
    • Chemical Class:

      A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B. ChEBI CHEBI:7508
    • Compound Source:

      Prod. by Streptomyces fradiae and other spp. InterBioScreen [Bio-0983]
    • Bio Activity:

      Aminoglycoside antibiotic InterBioScreen [Bio-0983]
      Clinically used broad-spectrum antibiotic InterBioScreen [Bio-0983]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 927.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.0±6.0 kJ/mol
Flash Point: 514.5±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 19
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -12.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

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