ChemSpider 2D Image | (6Z,12S,14S,23Z,29S,30S)-1,16-Diazatetracyclo[27.3.1.1~12,16~.0~14,30~]tetratriaconta-6,23-dien-18-ol | C32H56N2O

(6Z,12S,14S,23Z,29S,30S)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-dien-18-ol

  • Molecular FormulaC32H56N2O
  • Average mass484.800 Da
  • Monoisotopic mass484.439270 Da
  • ChemSpider ID27024260
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(6Z,12S,14S,23Z,29S,30S)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-dien-18-ol [German] [ACD/IUPAC Name]
(6Z,12S,14S,23Z,29S,30S)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-dien-18-ol [ACD/IUPAC Name]
(6Z,12S,14S,23Z,29S,30S)-1,16-Diazatétracyclo[27.3.1.112,16.014,30]tétratriaconta-6,23-dién-18-ol [French] [ACD/IUPAC Name]
22-hydroxyhaliclonacyclamine B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 604.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 272.1±30.2 °C
Index of Refraction: 1.547
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.82
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 126.56
ACD/KOC (pH 5.5): 76.27
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 1011.72
ACD/KOC (pH 7.4): 609.66
Polar Surface Area: 27 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 476.0±5.0 cm3

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