ChemSpider 2D Image | N-Acetyl-O-[(2R,4E,8R,10E,12E,14E,16E,18E,20E)-21-{3-[(3S)-3-amino-3-carboxypropyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-8-hydroxy-4,10,12,14,16,18,20-henicosaheptaen-2-yl]-L-homoserine | C36H48N2O10

N-Acetyl-O-[(2R,4E,8R,10E,12E,14E,16E,18E,20E)-21-{3-[(3S)-3-amino-3-carboxypropyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-8-hydroxy-4,10,12,14,16,18,20-henicosaheptaen-2-yl]-L-homoserine

  • Molecular FormulaC36H48N2O10
  • Average mass668.774 Da
  • Monoisotopic mass668.330872 Da
  • ChemSpider ID25030983

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Homoserine, N-acetyl-O-[(1R,3E,7R,9E,11E,13E,15E,17E,19E)-20-[3-[(3S)-3-amino-3-carboxypropyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-7-hydroxy-1-methyl-3,9,11,13,15,17,19-eicosaheptaen-1-yl]- [ACD/Index Name]
N-Acetyl-O-[(2R,4E,8R,10E,12E,14E,16E,18E,20E)-21-{3-[(3S)-3-amino-3-carboxypropyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-8-hydroxy-4,10,12,14,16,18,20-henicosaheptaen-2-yl]-L-homoserin [German] [ACD/IUPAC Name]
N-Acetyl-O-[(2R,4E,8R,10E,12E,14E,16E,18E,20E)-21-{3-[(3S)-3-amino-3-carboxypropyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-8-hydroxy-4,10,12,14,16,18,20-henicosaheptaen-2-yl]-L-homoserine [ACD/IUPAC Name]
N-Acétyl-O-[(2R,4E,8R,10E,12E,14E,16E,18E,20E)-21-{3-[(3S)-3-amino-3-carboxypropyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-8-hydroxy-4,10,12,14,16,18,20-hénicosaheptaén-2-yl]-L-homosérine [French] [ACD/IUPAC Name]
MYCENAAURIN A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.0±6.0 kJ/mol
Flash Point: 543.4±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 184.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 540.1±3.0 cm3

Click to predict properties on the Chemicalize site


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