ChemSpider 2D Image | Dimethyl (2Z,6Z,11Z,17Z,19R,20S)-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-5-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.1~3,6~.1~8,11~.1~13,16~.0~19,24~]octacosa-1(25),2,4,6,8(2 7),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylate | C44H48N4O10

Dimethyl (2Z,6Z,11Z,17Z,19R,20S)-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-5-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(2 7),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylate

  • Molecular FormulaC44H48N4O10
  • Average mass792.873 Da
  • Monoisotopic mass792.337036 Da
  • ChemSpider ID88297966

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z,6Z,11Z,17Z,19R,20S)-10,14-Bis[3-(2-hydroxyéthoxy)-3-oxopropyl]-4,9,15,19-tétraméthyl-5-vinyl-25,26,27,28-tétraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,1 ; 3,15,17,21,23-dodécaène-20,21-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (2Z,6Z,11Z,17Z,19R,20S)-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-5-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(2 7),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(2Z,6Z,11Z,17Z,19R,20S)-10,14-bis[3-(2-hydroxyethoxy)-3-oxopropyl]-4,9,15,19-tetramethyl-5-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(2 7),9,11,13,15,17,21,23-dodecaen-20,21-dicarboxylat [German] [ACD/IUPAC Name]
215808-49-4 [RN]
LEMUTEPORFIN

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1124.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.5±3.0 kJ/mol
Flash Point: 634.1±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 208.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 203 Å2
Polarizability: 82.8±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 580.2±5.0 cm3

Click to predict properties on the Chemicalize site


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