ChemSpider 2D Image | hypoglycin A | C7H11NO2

hypoglycin A

  • Molecular FormulaC7H11NO2
  • Average mass141.168 Da
  • Monoisotopic mass141.078979 Da
  • ChemSpider ID23936385

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-(2-Methylencyclopropyl)-L-alanin [German] [ACD/IUPAC Name]
3-(2-Methylenecyclopropyl)-L-alanine [ACD/IUPAC Name]
3-(2-Méthylènecyclopropyl)-L-alanine [French] [ACD/IUPAC Name]
Cyclopropanepropanoic acid, α-amino-2-methylene-, (αS)- [ACD/Index Name]
hypoglycin A
(2S)-2-amino-3-(2-methylenecyclopropyl)propanoic acid
1263274-08-3 [RN]
  • Miscellaneous

    • Chemical Class:

      A diastereoisomeric mixture of (2<stereo>S</stereo>,4<stereo>R</stereo>)- and (2<stereo>S</stereo>,4<stereo>S</stereo>)- hypoglycin A, found in the edible part of the fruit of the Ackee, <ital>Blighia sapida</ital> (where the 2<stereo>S</stereo>,4<stereo>R</stereo> diastereoisomer is more dominant (17% d.e.) than its 2<stereo>S</stereo>,4<stereo>S</stereo> counterpart) as well as in the sycamore m aple tree (<ital>Acer pseudoplatanus</ital>). ChEBI CHEBI:134622
      A diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus). ChEBI CHEBI:134622
      A diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia; sapida (where the 2S,4R diastereoisomer is more dominant (17% d.e.) tha n its 2S,4S counterpart) as well as in the sycamore m; aple tree (Acer pseudoplatanus). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134622

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

Density: 1.2±0.1 g/cm3
Boiling Point: 269.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 116.6±22.6 °C
Index of Refraction: 1.528
Molar Refractivity: 37.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 120.7±5.0 cm3

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