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Search term: LGSORWLWDBCUMM-NTAGLIMJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-hydroxycyclopropanecarboxylic acid | C6H9NO5

(1R,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-hydroxycyclopropanecarboxylic acid

  • Molecular FormulaC6H9NO5
  • Average mass175.139 Da
  • Monoisotopic mass175.048065 Da
  • ChemSpider ID23217482

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-hydroxycyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-hydroxycyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2S,3R)-2-[(S)-amino(carboxy)méthyl]-3-hydroxycyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, α-amino-2-carboxy-3-hydroxy-, (αS,1S,2R,3R)- [ACD/Index Name]
(1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-cyclopropanecarboxylic acid
1222645-48-8 [RN]
CHEMBL140197

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

Density: 1.8±0.1 g/cm3
Boiling Point: 499.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 256.0±27.3 °C
Index of Refraction: 1.667
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -5.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 127.2±3.0 dyne/cm
Molar Volume: 96.4±3.0 cm3

Click to predict properties on the Chemicalize site


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