ChemSpider 2D Image | (1S,3S)-3,5,12-Trihydroxy-3-[(1E)-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)ethanehydrazonoyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-h exopyranoside | C36H46N4O10

(1S,3S)-3,5,12-Trihydroxy-3-[(1E)-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)ethanehydrazonoyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-h exopyranoside

  • Molecular FormulaC36H46N4O10
  • Average mass694.771 Da
  • Monoisotopic mass694.320984 Da
  • ChemSpider ID5254141

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3,5,12-Trihydroxy-3-[(1E)-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyliden)ethanehydrazonoyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-h exopyranosid [German] [ACD/IUPAC Name]
(1S,3S)-3,5,12-Trihydroxy-3-[(1E)-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)ethanehydrazonoyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-h exopyranoside [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-[(1E)-N-(1-hydroxy-2,2,6,6-tétraméthyl-4-pipéridinylidène)ethanehydrazonoyl]-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexah ydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[(1E)-1-[2-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)hydrazinylidene] ethyl]-1-methoxy-, (8S,10S)- [ACD/Index Name]
1-Piperidinyloxy, 4-((1-(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)ethylidene)hydrazono)-2,2,6,6-tetramethyl-, (2S-cis)-
84412-94-2 [RN]
Emoxyl
Ruboxyl

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

Density: 1.5±0.0 g/cm3
Boiling Point: 858.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 130.6±0.0 kJ/mol
Flash Point: 472.7±0.0 °C
Index of Refraction: 1.676
Molar Refractivity: 175.6±0.0 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 217 Å2
Polarizability: 69.6±0.0 10-24cm3
Surface Tension: 57.5±0.0 dyne/cm
Molar Volume: 466.9±0.0 cm3

Click to predict properties on the Chemicalize site


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