ChemSpider 2D Image | Zoptarelin doxorubicin | C91H117N19O26

Zoptarelin doxorubicin

  • Molecular FormulaC91H117N19O26
  • Average mass1893.014 Da
  • Monoisotopic mass1891.841675 Da
  • ChemSpider ID17290938

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

Zoptarelin doxorubicin [INN] [USAN] [Wiki]
139570-93-7 [RN]
27844X2J29
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N6-[5-(2-{(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2- tetracenyl}-2-oxoethoxy)-5-oxopentanoyl]-D-lysyl-L-leucyl-L-arginyl-L-prolylglycinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N6-[5-(2-{(2S,4S)-4-[(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2 -tetracenyl}-2-oxoethoxy)-5-oxopentanoyl]-D-lysyl-L-leucyl-L-arginyl-L-prolylglycinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-séryl-L-tyrosyl-N6-[5-(2-{(2S,4S)-4-[(3-amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2 -tétracényl}-2-oxoéthoxy)-5-oxopentanoyl]-D-lysyl-L-leucyl-L-arginyl-L-prolylglycinamide [French] [ACD/IUPAC Name]
Glycinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N6-[5-[2-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy- 6,11-dioxo-2-naphthacenyl]-2-oxoethoxy]-1,5-dioxopentyl]-D-lysyl-L-leucyl-L-arginyl-L-prolyl- [ACD/Index Name]
UNII:27844X2J29
Zoptarelina doxorubicina [Spanish] [INN]
Zoptaréline doxorubicine [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9507 [DBID]
AEZS-108 [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: 1.714
Molar Refractivity: 472.4±0.5 cm3
#H bond acceptors: 45
#H bond donors: 26
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -6.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 713 Å2
Polarizability: 187.3±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 1204.1±7.0 cm3

Click to predict properties on the Chemicalize site


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