Found 1 result

Search term: 34981278 (Found by CSID)
ChemSpider 2D Image | (1'S,2S,9S,9aS,12'S)-15'-Hydroxy-2-methyl-3,3'-dioxo-2,3-dihydrospiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca[4,6,8,10,15]pentaene]-1(9aH)-carbaldehyde | C24H19N5O4

(1'S,2S,9S,9aS,12'S)-15'-Hydroxy-2-methyl-3,3'-dioxo-2,3-dihydrospiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.02,11.04,9]hexadeca[4,6,8,10,15]pentaene]-1(9aH)-carbaldehyde

  • Molecular FormulaC24H19N5O4
  • Average mass441.439 Da
  • Monoisotopic mass441.143707 Da
  • ChemSpider ID34981278

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1'S,2S,9S,9aS,12'S)-15'-Hydroxy-2-methyl-3,3'-dioxo-2,3-dihydrospiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.02,11.04,9]hexadeca[4,6,8,10,15]pentaene]-1(9aH)-carbaldehyde [ACD/IUPAC Name]
N-formyllapatin A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 805.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.8±37.1 °C
Index of Refraction: 1.886
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 38.71
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.53
Polar Surface Area: 106 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 83.7±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

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