Found 1 result

Search term: FJJCTPAMIAOFJX-VWKRKTLRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5s,6r,7r,9r,13cr,14r,16as)-6-Methoxy-5-Methyl-7-(Methylamino)-6,7,8,9,14,15,16,16a-Octahydro-5h,13ch-5,9-Epoxy-4b,9a,15-Triazadibenzo[b,H]cyclonona[1,2,3,4-Jkl]cyclopenta[e]-As-Indacen-14-Ol | C28H30N4O3

(5s,6r,7r,9r,13cr,14r,16as)-6-Methoxy-5-Methyl-7-(Methylamino)-6,7,8,9,14,15,16,16a-Octahydro-5h,13ch-5,9-Epoxy-4b,9a,15-Triazadibenzo[b,H]cyclonona[1,2,3,4-Jkl]cyclopenta[e]-As-Indacen-14-Ol

  • Molecular FormulaC28H30N4O3
  • Average mass470.563 Da
  • Monoisotopic mass470.231781 Da
  • ChemSpider ID59051865

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R,4R,6R,15R,16R,19S)-3-Methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),20(27),21,23,25-octaen-16-o l [German] [ACD/IUPAC Name]
(2S,3R,4R,6R,15R,16R,19S)-3-Methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),20(27),21,23,25-octaen-16-o l [ACD/IUPAC Name]
(2S,3R,4R,6R,15R,16R,19S)-3-Méthoxy-2-méthyl-4-(méthylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),20(27),21,23,25-octaén-16-o l [French] [ACD/IUPAC Name]
(5s,6r,7r,9r,13cr,14r,16as)-6-Methoxy-5-Methyl-7-(Methylamino)-6,7,8,9,14,15,16,16a-Octahydro-5h,13ch-5,9-Epoxy-4b,9a,15-Triazadibenzo[b,H]cyclonona[1,2,3,4-Jkl]cyclopenta[e]-As-Indacen-14-Ol
6,10-Epoxy-6H,16H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-16-ol, 7,8,9,10,15c,17,18,18a-octahydro-7-methoxy-6-methyl-8-(methylamino)-, (6S,7R,8R,10R,15cR,16R,18aS)- [ACD/Index Name]
4O7
Staurosporine [Wiki]
STU

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

Density: 1.6±0.1 g/cm3
Boiling Point: 743.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.5±32.9 °C
Index of Refraction: 1.810
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 298.7±7.0 cm3

Click to predict properties on the Chemicalize site


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