ChemSpider 2D Image | (3S,21R)-10,14,15,26-Tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecae ne | C38H42N2O6

(3S,21R)-10,14,15,26-Tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecae ne

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID17460716

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,21R)-10,14,15,26-Tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecae n [German] [ACD/IUPAC Name]
(3S,21R)-10,14,15,26-Tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecae ne [ACD/IUPAC Name]
(3S,21R)-10,14,15,26-Tétraméthoxy-4,20-diméthyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodécaè ne [French] [ACD/IUPAC Name]
19879-44-8 [RN]
73745-76-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 710.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 175.8±30.1 °C
    Index of Refraction: 1.586
    Molar Refractivity: 178.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 1.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.56
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 606.44
    ACD/KOC (pH 7.4): 2249.32
    Polar Surface Area: 62 Å2
    Polarizability: 70.6±0.5 10-24cm3
    Surface Tension: 41.8±3.0 dyne/cm
    Molar Volume: 531.1±3.0 cm3

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