ChemSpider 2D Image | Telavancin | C80H106Cl2N11O27P

Telavancin

  • Molecular FormulaC80H106Cl2N11O27P
  • Average mass1755.635 Da
  • Monoisotopic mass1753.637451 Da
  • ChemSpider ID2338980
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichlor-48-{[2-O-(3-{[2-(decylamino)ethyl]amino}-2,3,6-tridesoxy-3-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2,18,32,35 ,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25 .034,39]pentaconta-3,5,8(48),9,11,14,16,29 [German] [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[2-(decylamino)ethyl]amino}-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2,18,32,35 ,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25 .034,39]pentaconta-3,5,8(48),9,11,14,16,29 [ACD/IUPAC Name]
372151-71-8 [RN]
8504
Acide (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoéthyl)-5,15-dichloro-48-{[2-O-(3-{[2-(décylamino)éthyl]amino}-2,3,6-tridésoxy-3-méthyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2,1 8,32,35,37-pentahydroxy-19-[(N-méthyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-36-{[(phosphonométhyl)amino]méthyl}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.0 10,25.034,39]pentaconta-3,5,8(48),9,11,1 [French] [ACD/IUPAC Name]
Telavancin [INN] [Wiki]
Telavancin [INN]
telavancina [Spanish] [INN]
telavancine [French] [INN]
telavancinum [Latin] [INN]
More...

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

TD-6424 [DBID]
  • Miscellaneous
    • Chemical Class:

      A glycopeptide that is vancomycin substituted at position N-3'' by a 2-(decylamino)ethyl group and at position C-29 by a (phosphonomethyl)aminomethyl group. Used as its hydrochloride salt for treatmen t of adults with complicated skin and skin structure infections caused by bacteria. ChEBI CHEBI:71229

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 432.8±0.4 cm3
#H bond acceptors: 38
#H bond donors: 24
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 608 Å2
Polarizability: 171.6±0.5 10-24cm3
Surface Tension: 93.1±5.0 dyne/cm
Molar Volume: 1133.5±5.0 cm3

Click to predict properties on the Chemicalize site





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