ChemSpider 2D Image | oritavancin | C86H97Cl3N10O26

oritavancin

  • Molecular FormulaC86H97Cl3N10O26
  • Average mass1793.101 Da
  • Monoisotopic mass1790.564087 Da
  • ChemSpider ID17286443
  • defined stereocentres - 22 of 22 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)-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphenylyl)methyl]amino}-2,3,6-t rideoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26 .14.2.23,6.214,17.18,12.129,33.0~10, [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-tridesoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichlor-48-{[2-O-(3-{[(4'-chlor-4-biphenylyl)methyl]amino}-2,3,6-tr idesoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26 .14.2.23,6.214,17.18,12.129,33.0~10, [German] [ACD/IUPAC Name]
171099-57-3 [RN]
7979
Acide (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoéthyl)-2-[(3-amino-2,3,6-tridésoxy-3-méthyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphénylyl)méthyl]amino}- 2,3,6-tridésoxy-3-méthyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-18,32,35,37-tétrahydroxy-19-[(N-méthyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaocta cyclo[26.14.2.23,6.214,17.18,12.1~29,3 [French] [ACD/IUPAC Name]
oritavancin [INN] [Wiki]
PUG62FRZ2E
(1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-22-(carbamoylmethyl)-5,15-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5R,6S)-4-({[4-(4-chlorophenyl)phenyl]
(4''R)-22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-N(3'')-((4'-chloro(1,1'-biphenyl)-4-yl)methyl)vancomycin
(4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin
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  • Miscellaneous
    • Chemical Class:

      A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designa ted Gram-positive microorganisms including MRSA. ChEBI CHEBI:82699

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 447.2±0.4 cm3
#H bond acceptors: 36
#H bond donors: 22
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.10
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 561 Å2
Polarizability: 177.3±0.5 10-24cm3
Surface Tension: 96.5±5.0 dyne/cm
Molar Volume: 1127.7±5.0 cm3

Click to predict properties on the Chemicalize site





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