ChemSpider 2D Image | (2S,4R)-hypoglycin B | C12H18N2O5

(2S,4R)-hypoglycin B

  • Molecular FormulaC12H18N2O5
  • Average mass270.282 Da
  • Monoisotopic mass270.121582 Da
  • ChemSpider ID32701093

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-hypoglycin B
L-Alanine, L-γ-glutamyl-3-[(1R)-2-methylenecyclopropyl]- [ACD/Index Name]
L-γ-Glutamyl-3-[(1R)-2-methylencyclopropyl]-L-alanin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-3-[(1R)-2-methylenecyclopropyl]-L-alanine [ACD/IUPAC Name]
L-γ-Glutamyl-3-[(1R)-2-méthylènecyclopropyl]-L-alanine [French] [ACD/IUPAC Name]
Hypoglycine B

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

T83F0X4NGN [DBID]
UNII:T83F0X4NGN [DBID]
UNII-T83F0X4NGN [DBID]
  • Miscellaneous

    • Chemical Class:

      A 5-<stereo>L</stereo>-glutamyl amino acid resulting from the formal condensation of the amino group of (2<stereo>S</stereo>,4<stereo>R</stereo>)-hypoglycin A with the <locant>gamma</locant>-carboxy g roup of <stereo>L</stereo>-glutamic acid. ChEBI CHEBI:136293
      A 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy g; roup of L-glutamic acid. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136293
      A 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy group of L-glutamic acid. ChEBI CHEBI:136293

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 312.3±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 202.6±5.0 cm3

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