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]
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]
(4R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-a-L-arabinohexopyranosyl)-N3-(p-(p-chlorophenyl)benzyl)vancomycin
(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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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7979 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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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