Found 9 results

Search term: MF = 'C_{36}H_{50}N_{4}O'
ChemSpider 2D Image | manzamine H | C36H50N4O

manzamine H

  • Molecular FormulaC36H50N4O
  • Average mass554.808 Da
  • Monoisotopic mass554.398438 Da
  • ChemSpider ID10223747

  • 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

(1S,2R,5Z,12R,13S,16Z)-25-[(1R)-2,3,4,9-Tetrahydro-1H-β-carbolin-1-yl]-11,22-diazatetracyclo[11.11.2.12,22.02,12]heptacosa-5,16,25-trien-13-ol [ACD/IUPAC Name]
(1S,2R,5Z,12R,13S,16Z)-25-[(1R)-2,3,4,9-Tetrahydro-1H-β-carbolin-1-yl]-11,22-diazatetracyclo[11.11.2.12,22.02,12]heptacosa-5,16,25-trien-13-ol [German] [ACD/IUPAC Name]
(1S,2R,5Z,12R,13S,16Z)-25-[(1R)-2,3,4,9-Tétrahydro-1H-β-carbolin-1-yl]-11,22-diazatétracyclo[11.11.2.12,22.02,12]heptacosa-5,16,25-trién-13-ol [French] [ACD/IUPAC Name]
10H-16,11-[3]Octenoazacycloundecino[2,3-i]isoquinolin-16(12H)-ol, 1,2,3,4,5,8,9,13,13a,16a-decahydro-14-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-, (6Z,9aR,13aS,16S,16aR,19Z)- [ACD/Index Name]
manzamine H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.2±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 169.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 6.11
ACD/KOC (pH 7.4): 6.65
Polar Surface Area: 63 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 464.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement