Found 65 results

Search term: MF = 'C_{24}H_{34}N_{2}O_{9}'
ChemSpider 2D Image | Bacilosarcin C | C24H34N2O9

Bacilosarcin C

  • Molecular FormulaC24H34N2O9
  • Average mass494.535 Da
  • Monoisotopic mass494.226440 Da
  • ChemSpider ID29214740

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

{(2S,3S,5S,6S)-6-Hydroxy-2-[(1S)-1-hydroxy-2-({(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}amino)-2-oxoethyl]-5,6-dimethyl-3-morpholinyl}acetic acid [ACD/IUPAC Name]
{(2S,3S,5S,6S)-6-Hydroxy-2-[(1S)-1-hydroxy-2-({(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}amino)-2-oxoethyl]-5,6-dimethyl-3-morpholinyl}essigsäure [German] [ACD/IUPAC Name]
3-Morpholineacetic acid, 2-[(1S)-2-[[(1S)-1-[(3S)-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-1-hydroxy-2-oxoethyl]-6-hydroxy-5,6-dimethyl-, (2S,3S,5S,6S)- [ACD/Index Name]
Acide {(2S,3S,5S,6S)-6-hydroxy-2-[(1S)-1-hydroxy-2-({(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl]-3-méthylbutyl}amino)-2-oxoéthyl]-5,6-diméthyl-3-morpholinyl}acétique [French] [ACD/IUPAC Name]
Bacilosarcin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 826.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 453.8±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 379.4±3.0 cm3

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