ChemSpider 2D Image | N-[(2S)-2-{[(2S)-2-Amino-3-methoxy-3-oxopropyl]amino}-3-methoxy-3-oxopropyl]-L-aspartic acid | C12H21N3O8

N-[(2S)-2-{[(2S)-2-Amino-3-methoxy-3-oxopropyl]amino}-3-methoxy-3-oxopropyl]-L-aspartic acid

  • Molecular FormulaC12H21N3O8
  • Average mass335.310 Da
  • Monoisotopic mass335.132874 Da
  • ChemSpider ID76800845

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-[(2S)-2-{[(2S)-2-amino-3-méthoxy-3-oxopropyl]amino}-3-méthoxy-3-oxopropyl]-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(2S)-2-[[(2S)-2-amino-3-methoxy-3-oxopropyl]amino]-3-methoxy-3-oxopropyl]- [ACD/Index Name]
N-[(2S)-2-{[(2S)-2-Amino-3-methoxy-3-oxopropyl]amino}-3-methoxy-3-oxopropyl]-L-asparaginsäure [German] [ACD/IUPAC Name]
N-[(2S)-2-{[(2S)-2-Amino-3-methoxy-3-oxopropyl]amino}-3-methoxy-3-oxopropyl]-L-aspartic acid [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.5±6.0 kJ/mol
Flash Point: 285.4±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 245.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement