ChemSpider 2D Image | Dimethyl 3,3'-[(9'Z,13'Z,19'Z,21'S,22'S)-11'-ethyl-12',17',21',26'-tetramethylspiro[1,3-dioxolane-2,4'-[7,23,24,25]tetraazahexacyclo[18.2.1.1~5,8~.1~10,13~.1~15,18~.0~2,6~]hexacosa[1(23),2(6),5(26),7, 9,11,13,15,17,19]decaene]-16',22'-diyl]dipropanoate | C38H44N4O6

Dimethyl 3,3'-[(9'Z,13'Z,19'Z,21'S,22'S)-11'-ethyl-12',17',21',26'-tetramethylspiro[1,3-dioxolane-2,4'-[7,23,24,25]tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa[1(23),2(6),5(26),7, 9,11,13,15,17,19]decaene]-16',22'-diyl]dipropanoate

  • Molecular FormulaC38H44N4O6
  • Average mass652.779 Da
  • Monoisotopic mass652.326111 Da
  • ChemSpider ID9942171

  • 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

Dimethyl 3,3'-[(9'Z,13'Z,19'Z,21'S,22'S)-11'-ethyl-12',17',21',26'-tetramethylspiro[1,3-dioxolane-2,4'-[7,23,24,25]tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa[1(23),2(6),5(26),7, ;9,11,13,15,17,19]decaene]-16',22'-diyl]dipropanoate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 963.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 536.6±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 176.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.03
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: 128 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 496.3±5.0 cm3

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