ChemSpider 2D Image | UNII:4P63B997RT | C58H91N13O20

UNII:4P63B997RT

  • Molecular FormulaC58H91N13O20
  • Average mass1290.418 Da
  • Monoisotopic mass1289.650391 Da
  • ChemSpider ID32702413

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

Glycinamide, N-[(3E)-10-methyl-1-oxo-3-dodecen-1-yl]-L-α-aspartyl-(3R)-3-methyl-L-α-aspartyl-L-α-aspartylglycyl-L-α-aspartyl-N-[(1R,2S)-2-amino-1-[[[(1S)-2-methyl-1-[[(2S)-2-[[[(1S)-1- 
[(3S,9aR)-octahydro-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-3-yl]ethyl]amino]carbonyl]-1-pyrrolidinyl]carbonyl]propyl]amino]carbonyl]propyl]- [ACD/Index Name]
N-[(3E)-10-Methyl-3-dodecenoyl]-L-α-asparagyl-(3R)-3-methyl-L-α-asparagyl-L-α-asparagylglycyl-L-α-asparagyl-N-[(2R,3S)-3-amino-1-({(2S)-1-[(2S)-2-({(1S)-1-[(3S,9aR)-1,4-dioxooctahydro- 
2H-pyrido[1,2-a]pyrazin-3-yl]ethyl}carbamoyl)-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]glycinamid [German] [ACD/IUPAC Name]
N-[(3E)-10-Methyl-3-dodecenoyl]-L-α-aspartyl-(3R)-3-methyl-L-α-aspartyl-L-α-aspartylglycyl-L-α-aspartyl-N-[(2R,3S)-3-amino-1-({(2S)-1-[(2S)-2-({(1S)-1-[(3S,9aR)-1,4-dioxooctahydro-2H-p 
yrido[1,2-a]pyrazin-3-yl]ethyl}carbamoyl)-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]glycinamide [ACD/IUPAC Name]
N-[(3E)-10-Méthyl-3-dodecenoyl]-L-α-aspartyl-(3R)-3-méthyl-L-α-aspartyl-L-α-aspartylglycyl-L-α-aspartyl-N-[(2R,3S)-3-amino-1-({(2S)-1-[(2S)-2-({(1S)-1-[(3S,9aR)-1,4-dioxooctahydro-2H-p 
yrido[1,2-a]pyrazin-3-yl]éthyl}carbamoyl)-1-pyrrolidinyl]-3-méthyl-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]glycinamide [French] [ACD/IUPAC Name]
UNII:4P63B997RT
1402-82-0 [RN]
215-760-0 [EINECS]
Amphomycin [USAN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1655.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 281.4±6.0 kJ/mol
Flash Point: 955.2±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 320.0±0.4 cm3
#H bond acceptors: 33
#H bond donors: 16
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -4.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 507 Å2
Polarizability: 126.9±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 936.4±5.0 cm3

Click to predict properties on the Chemicalize site


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