ChemSpider 2D Image | (2S)-Amino(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid | C9H10N2O6

(2S)-Amino(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid

  • Molecular FormulaC9H10N2O6
  • Average mass242.186 Da
  • Monoisotopic mass242.053879 Da
  • ChemSpider ID27466133

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Amino(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid [ACD/IUPAC Name]
(2S)-Amino(4-hydroxy-3-methoxy-5-nitrophenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-amino(4-hydroxy-3-méthoxy-5-nitrophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-4-hydroxy-3-methoxy-5-nitro-, (αS)- [ACD/Index Name]
(2S)-2-AMINO-2-(4-HYDROXY-3-METHOXY-5-NITROPHENYL)ACETIC ACID
(S)-2-amino-2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid
(S)-AMINO(4-HYDROXY-3-METHOXY-5-NITROPHENYL)ACETIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 419.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 207.3±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

Click to predict properties on the Chemicalize site


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