ChemSpider 2D Image | E7107 | C40H66N2O9

E7107

  • Molecular FormulaC40H66N2O9
  • Average mass718.960 Da
  • Monoisotopic mass718.476807 Da
  • ChemSpider ID17330478

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R)-1,2-Anhydro-4-C-{(1E,3E)-4-[(2S,3S,4E,6S,7R,10R)-6-{[(4-cycloheptyl-1-piperazinyl)carbonyl]oxy}-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-3,5-dideoxy-1-[(2R,3 S)-3-hydroxy-2-pentanyl]-D-erythro-pentitol [ACD/IUPAC Name]
(1R)-1,2-Anhydro-4-C-{(1E,3E)-4-[(2S,3S,4E,6S,7R,10R)-6-{[(4-cycloheptyl-1-piperazinyl)carbonyl]oxy}-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl}-3,5-didesoxy-1-[(2R, 3S)-3-hydroxy-2-pentanyl]-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1R)-1,2-Anhydro-4-C-{(1E,3E)-4-[(2S,3S,4E,6S,7R,10R)-6-{[(4-cycloheptyl-1-pipérazinyl)carbonyl]oxy}-7,10-dihydroxy-3,7-diméthyl-12-oxooxacyclododéc-4-én-2-yl]-1,3-pentadién-1-yl}-3,5-didésoxy-1-[(2R, 3S)-3-hydroxy-2-pentanyl]-D-érythro-pentitol [French] [ACD/IUPAC Name]
630100-90-2 [RN]
D-erythro-Pentitol, 1,2-anhydro-4-C-[(1E,3E)-4-[(2S,3S,4E,6S,7R,10R)-6-[[(4-cycloheptyl-1-piperazinyl)carbonyl]oxy]-7,10-dihydroxy-3,7-dimethyl-12-oxooxacyclododec-4-en-2-yl]-1,3-pentadien-1-yl]-3,5-d ideoxy-1-C-[(1R,2S)-2-hydroxy-1-methylbutyl]-, (1R)- [ACD/Index Name]
E7107
R60DZX1E2N
(3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-7-[(4-cycloheptylpiperazin-1-yl)carbonyl]oxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoyxtrichosa-8,12,14-trien-11-olide
[(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6R)-6-hydroxy-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
1-Piperazinecarboxylic acid, 4-cycloheptyl-, (2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-((1E,3E,5R)-5-hydroxy-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)oxiranyl)-1,5-dimethyl-1,3-hexadienyl)-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NChemBio.2007.16-comp7 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 840.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.9±6.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 132.47
ACD/KOC (pH 5.5): 493.79
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2095.18
ACD/KOC (pH 7.4): 7810.02
Polar Surface Area: 153 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 603.5±5.0 cm3

Click to predict properties on the Chemicalize site


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