ChemSpider 2D Image | NEOPETROSIAMINE A | C30H52N2

NEOPETROSIAMINE A

  • Molecular FormulaC30H52N2
  • Average mass440.747 Da
  • Monoisotopic mass440.413055 Da
  • ChemSpider ID26365028

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6Z,12R,13R,21Z,27R,29R)-1,16-Diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-6,21-dien [German] [ACD/IUPAC Name]
(6Z,12R,13R,21Z,27R,29R)-1,16-Diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-6,21-diene [ACD/IUPAC Name]
(6Z,12R,13R,21Z,27R,29R)-1,16-Diazatétracyclo[25.3.1.112,16.013,29]dotriaconta-6,21-diène [French] [ACD/IUPAC Name]
2,27:13,16-Dimethanoazacyclopentadecino[4,3-d]azacycloheptadecine, 1,3,4,5,6,9,10,11,12,13,13a,14,15,17,18,19,20,23,24,25,26,27,28,28a-tetracosahydro-, (7Z,13R,13aR,21Z,27R,28aR)- [ACD/Index Name]
NEOPETROSIAMINE A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 550.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 243.3±17.9 °C
Index of Refraction: 1.542
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 10.17
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 224.43
ACD/KOC (pH 5.5): 114.71
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 591.51
ACD/KOC (pH 7.4): 302.34
Polar Surface Area: 6 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 445.9±5.0 cm3

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