ChemSpider 2D Image | (2S)-2-{[Bis(2-hydroxyethyl)carbamoyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name) | C10H18N2O7

(2S)-2-{[Bis(2-hydroxyethyl)carbamoyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name)

  • Molecular FormulaC10H18N2O7
  • Average mass278.259 Da
  • Monoisotopic mass278.111389 Da
  • ChemSpider ID43470355

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[Bis(2-hydroxyethyl)carbamoyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-{[Bis(2-hydroxyethyl)carbamoyl]amino}-4-methoxy-4-oxobutansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-{[bis(2-hydroxyéthyl)carbamoyl]amino}-4-méthoxy-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[[bis(2-hydroxyethyl)amino]carbonyl]-, 4-methyl ester [ACD/Index 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: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

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