ChemSpider 2D Image | (4Z,12R,14R,21Z,29R,30S)-1,16-Diazatetracyclo[27.3.1.1~12,16~.0~14,30~]tetratriaconta-4,21-diene | C32H56N2

(4Z,12R,14R,21Z,29R,30S)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,21-diene

  • Molecular FormulaC32H56N2
  • Average mass468.800 Da
  • Monoisotopic mass468.444336 Da
  • ChemSpider ID20057361

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4Z,12R,14R,21Z,29R,30S)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,21-dien [German] [ACD/IUPAC Name]
(4Z,12R,14R,21Z,29R,30S)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,21-diene [ACD/IUPAC Name]
(4Z,12R,14R,21Z,29R,30S)-1,16-Diazatétracyclo[27.3.1.112,16.014,30]tétratriaconta-4,21-diène [French] [ACD/IUPAC Name]
2,29:15,18-Dimethanoazacycloheptadecino[5,4-c]azacycloheptadecine, 1,3,4,5,6,9,10,11,12,13,14,15,15a,16,17,19,20,23,24,25,26,27,28,29,30,30a-hexacosahydro-, (7Z,15R,15aS,21Z,29R,30aR)- [ACD/Index Name]
rel-(4Z,12R,14R,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,21-diene (non-preferred name)
halichondramine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 579.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 255.1±17.9 °C
Index of Refraction: 1.538
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 11.37
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 1008.57
ACD/KOC (pH 5.5): 336.46
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 4215.86
ACD/KOC (pH 7.4): 1406.42
Polar Surface Area: 6 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 478.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement