ChemSpider 2D Image | (15S,16S,18R)-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-1,4,6,8,10,12,20,22,24,26-decaen-3-one | C26H19N3O4

(15S,16S,18R)-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-1,4,6,8,10,12,20,22,24,26-decaen-3-one

  • Molecular FormulaC26H19N3O4
  • Average mass437.447 Da
  • Monoisotopic mass437.137543 Da
  • ChemSpider ID35034954

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15S,16S,18R)-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-1,4,6,8,10,12,20,22,24,26-decaen-3-on [German] [ACD/IUPAC Name]
(15S,16S,18R)-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-1,4,6,8,10,12,20,22,24,26-decaen-3-one [ACD/IUPAC Name]
(15S,16S,18R)-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-1,4,6,8,10,12,20,22,24,26-décaén-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-tetrahydro-7-hydroxy-7-(hydroxymethyl)-6-methyl-, (6S,7S,9R)- [ACD/Index Name]
2V9
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: 669.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.5±34.3 °C
Index of Refraction: 1.880
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.79
ACD/KOC (pH 5.5): 2308.60
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.79
ACD/KOC (pH 7.4): 2308.60
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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