ChemSpider 2D Image | (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphenylyl)methyl]amino}-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-6-S-(5-hydrazino-4-methyl- 4H-1,2,4-triazol-3-yl)-6-thio-beta-D-glucopyranosyl]oxy}-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~1 4,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pen | C82H89Cl3N14O23S

(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphenylyl)methyl]amino}-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)-6-S-(5-hydrazino-4-methyl- 4H-1,2,4-triazol-3-yl)-6-thio-β-D-glucopyranosyl]oxy}-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.21 4,17.18,12.129,33.010,25.034,39]pen

  • Molecular FormulaC82H89Cl3N14O23S
  • Average mass1777.088 Da
  • Monoisotopic mass1774.501099 Da
  • ChemSpider ID17326406

  • 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-{[(4'-chlor-4-biphenylyl)methyl]amino}-2,3,6-tridesoxy-3-methyl-α-L-lyxo-hexopyranosyl)-6-S-(5-hydrazino-4-methyl-4 H-1,2,4-triazol-3-yl)-6-thio-β-D-glucopyranosyl]oxy}-2,18,32,35,37-pentahydroxy-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 ,17.18,12.129,33.010,25.034,39]pent [German] [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphenylyl)methyl]amino}-2,3,6-trideoxy-3-methyl-α-L-lyxo-hexopyranosyl)-6-S-(5-hydrazino-4-methyl- 4H-1,2,4-triazol-3-yl)-6-thio-β-D-glucopyranosyl]oxy}-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.21 4,17.18,12.129,33.010,25.034,39]pen [ACD/IUPAC Name]
Acide (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoéthyl)-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphénylyl)méthyl]amino}-2,3,6-tridésoxy-3-méthyl-α-L-lyxo-hexopyranosyl)-6-S-(5-hydrazino-4- méthyl-4H-1,2,4-triazol-3-yl)-6-thio-β-D-glucopyranosyl]oxy}-2,18,32,35,37-pentahydroxy-19-[(N-méthyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23 ,6.214,17.18,12.129,33.010,25.0~34, [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 432.6±0.5 cm3
#H bond acceptors: 37
#H bond donors: 22
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.31
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 590 Å2
Polarizability: 171.5±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 1063.5±7.0 cm3

Click to predict properties on the Chemicalize site


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