Found 9 results

Search term: MF = 'C_{43}H_{55}NO_{8}'
ChemSpider 2D Image | Ethyl (6E)-7-[4-({5-[(2S,4S,5R)-5-[(2Z)-6-ethoxy-6-oxo-2-hexen-1-yl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]pentyl}oxy)phenyl]-7-(3-pyridinyl)-6-heptenoate | C43H55NO8

Ethyl (6E)-7-[4-({5-[(2S,4S,5R)-5-[(2Z)-6-ethoxy-6-oxo-2-hexen-1-yl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]pentyl}oxy)phenyl]-7-(3-pyridinyl)-6-heptenoate

  • Molecular FormulaC43H55NO8
  • Average mass713.899 Da
  • Monoisotopic mass713.392761 Da
  • ChemSpider ID8208327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6E)-7-[4-({5-[(2S,4S,5R)-5-[(2Z)-6-Éthoxy-6-oxo-2-hexén-1-yl]-4-(2-hydroxyphényl)-1,3-dioxan-2-yl]pentyl}oxy)phényl]-7-(3-pyridinyl)-6-hepténoate d'éthyle [French] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[4-[[5-[(2S,4S,5R)-5-[(2Z)-6-ethoxy-6-oxo-2-hexen-1-yl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]pentyl]oxy]phenyl]-7-(3-pyridinyl)-, ethyl ester, (6E)- [ACD/Index Name]
Ethyl (6E)-7-[4-({5-[(2S,4S,5R)-5-[(2Z)-6-ethoxy-6-oxo-2-hexen-1-yl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]pentyl}oxy)phenyl]-7-(3-pyridinyl)-6-heptenoate [ACD/IUPAC Name]
Ethyl-(6E)-7-[4-({5-[(2S,4S,5R)-5-[(2Z)-6-ethoxy-6-oxo-2-hexen-1-yl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]pentyl}oxy)phenyl]-7-(3-pyridinyl)-6-heptenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 769.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 419.4±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 203.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 7.75
ACD/BCF (pH 5.5): 410146.84
ACD/KOC (pH 5.5): 321570.41
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 617584.13
ACD/KOC (pH 7.4): 484209.00
Polar Surface Area: 113 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 643.5±3.0 cm3

Click to predict properties on the Chemicalize site


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