Found 308 results

Search term: MF = 'C_{30}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (3aR,4aR,8aR,9aR)-3-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-en-3-ylmethyl]-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one | C30H44N2O3

(3aR,4aR,8aR,9aR)-3-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-ylmethyl]-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

  • Molecular FormulaC30H44N2O3
  • Average mass480.682 Da
  • Monoisotopic mass480.335205 Da
  • ChemSpider ID48066119

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(3aR,4aR,8aR,9aR)-3-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-ylmethyl]-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one [ACD/IUPAC Name]
Spiro[naphtho[2,3-b]furan-5(2H),2'-oxiran]-2-one, 3-[[(6R,6aR,13aS)-3,4,6,6a,7,9,10,12,13,13a-decahydro-6,13-methano-2H-dipyrido[1,2-a:3',2'-e]azocin-1(8H)-yl]methyl]decahydro-8a-methyl-, (3aR,4aR,8aR ,9aR)- [ACD/Index Name]
957047-41-5 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.613
    Molar Refractivity: 135.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 14.35
    ACD/KOC (pH 7.4): 73.94
    Polar Surface Area: 45 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 53.9±5.0 dyne/cm
    Molar Volume: 389.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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