ChemSpider 2D Image | L-dihydroanticapsin | C9H15NO4

L-dihydroanticapsin

  • Molecular FormulaC9H15NO4
  • Average mass201.220 Da
  • Monoisotopic mass201.100113 Da
  • ChemSpider ID34999432

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-Ammonio-3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]propanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]propanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]propanoate [French] [ACD/IUPAC Name]
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanin [German] [ACD/IUPAC Name]
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine [ACD/IUPAC Name]
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, α-amino-5-hydroxy-, (αS,1R,2S,5R,6S)- [ACD/Index Name]
L-dihydroanticapsin
(1R,2S,5R,6S)-dihydroanticapsin zwitterion
(2S)-2-amino-3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]propanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 421.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 208.7±23.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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