ChemSpider 2D Image | Dolutegravir | C20H19F2N3O5

Dolutegravir

  • Molecular FormulaC20H19F2N3O5
  • Average mass419.379 Da
  • Monoisotopic mass419.129272 Da
  • ChemSpider ID29394246

More details:

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

2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo- [ACD/Index Name]
Dolutegravir [INN] [USAN] [Wiki]
Dolutegravir (GSK1349572)
N-(2,4-Difluorbenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-9-carboxamid [German] [ACD/IUPAC Name]
N-(2,4-Difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide [ACD/IUPAC Name]
N-(2,4-Difluorobenzyl)-7-hydroxy-4-méthyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide [French] [ACD/IUPAC Name]
(4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide
BCP000657/dolutegravir/GSK 1349572,S-349572
D10066
DB08930
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 669.0±55.0 °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: 358.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 273.8±5.0 cm3

Click to predict properties on the Chemicalize site


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