Found 98 results

Search term: MF = 'C_{37}H_{49}N_{3}O_{6}'
ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3S,5R)-5-{4-[2-(dimethylamino)ethoxy]benzyl}-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate | C37H49N3O6

2-Methyl-2-propanyl [(2S,3S,5R)-5-{4-[2-(dimethylamino)ethoxy]benzyl}-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate

  • Molecular FormulaC37H49N3O6
  • Average mass631.802 Da
  • Monoisotopic mass631.362122 Da
  • ChemSpider ID4586284

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S,3S,5R)-5-{4-[2-(Diméthylamino)éthoxy]benzyl}-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-5-{4-[2-(dimethylamino)ethoxy]benzyl}-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-5-{4-[2-(dimethylamino)ethoxy]benzyl}-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-2(R)-[[4-(2-dimethylamino)ethoxy]phenyl]methyl]-6-phenylhexanamide

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

AIDS004110 [DBID]
AIDS-004110 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 839.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.3±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 11.07
ACD/KOC (pH 5.5): 30.32
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 382.64
ACD/KOC (pH 7.4): 1048.32
Polar Surface Area: 120 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 522.1±5.0 cm3

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