ChemSpider 2D Image | (15R,16R,18S)-16-Hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one | C26H21N3O4

(15R,16R,18S)-16-Hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

  • Molecular FormulaC26H21N3O4
  • Average mass439.463 Da
  • Monoisotopic mass439.153198 Da
  • ChemSpider ID68026569

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15R,16R,18S)-16-Hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-on [German] [ACD/IUPAC Name]
(15R,16R,18S)-16-Hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one [ACD/IUPAC Name]
(15R,16R,18S)-16-Hydroxy-16-(hydroxyméthyl)-15-méthyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaén-3-one [French] [ACD/IUPAC Name]
6,9-Epoxy-15H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-15-one, 6,7,8,9,16,17-hexahydro-7-hydroxy-7-(hydroxymethyl)-6-methyl-, (6R,7R,9S)- [ACD/Index Name]
Lestaurtinib [USAN] [Wiki]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 723.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 391.0±32.9 °C
Index of Refraction: 1.880
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 123.06
ACD/KOC (pH 5.5): 1090.75
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 123.06
ACD/KOC (pH 7.4): 1090.75
Polar Surface Area: 89 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 78.9±7.0 dyne/cm
Molar Volume: 257.1±7.0 cm3

Click to predict properties on the Chemicalize site


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