Found 1 result

Search term: 78442477 (Found by CSID)
ChemSpider 2D Image | (8R,11S)-11-[(2S)-2-Butanyl]-11-hydroxy-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione | C17H21N3O5

(8R,11S)-11-[(2S)-2-Butanyl]-11-hydroxy-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione

  • Molecular FormulaC17H21N3O5
  • Average mass347.366 Da
  • Monoisotopic mass347.148132 Da
  • ChemSpider ID78442477

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8R,11S)-11-[(2S)-2-Butanyl]-11-hydroxy-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidin-6,9(8H)-dion [German] [ACD/IUPAC Name]
(8R,11S)-11-[(2S)-2-Butanyl]-11-hydroxy-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione [ACD/IUPAC Name]
(8R,11S)-11-[(2S)-2-Butanyl]-11-hydroxy-4-méthoxy-8-méthyl-10,11-dihydro-6H-oxépino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione [French] [ACD/IUPAC Name]
6H-Oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione, 10,11-dihydro-11-hydroxy-4-methoxy-8-methyl-11-[(1S)-1-methylpropyl]-, (8R,11S)- [ACD/Index Name]
oxepinamide B

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.82
Polar Surface Area: 100 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 247.6±7.0 cm3

Click to predict properties on the Chemicalize site


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