ChemSpider 2D Image | Humantenine | C21H26N2O3

Humantenine

  • Molecular FormulaC21H26N2O3
  • Average mass354.443 Da
  • Monoisotopic mass354.194336 Da
  • ChemSpider ID24719797

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1'R,3S,4'S,7'Z,8'R,9'S)-7'-Ethylidene-1-methoxy-5'-methylspiro[indole-3,2'-[11]oxa[5]azatricyclo[6.3.1.04,9]dodecan]-2(1H)-one [ACD/IUPAC Name]
82375-29-9 [RN]
Humantenine
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
(Z)-Akuammidine
[113973-31-2] [RN]
113973-31-2 [RN]
MFCD17214787

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.2±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.33
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 19.31
ACD/KOC (pH 7.4): 163.14
Polar Surface Area: 42 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

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