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Anticapsin
[CAS# 28978-07-6]

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Identification
Name Anticapsin
Synonyms (2S)-2-Amino-3-[(1R,2R,6R)-5-Keto-7-Oxabicyclo[4.1.0]Heptan-2-Yl]Propionic Acid; 7-Oxabicyclo(4.1.0)Heptane-2-Propanoic Acid, Alpha-Amino-5-Oxo-, (1R-(1Alpha,2Beta(S*),6Alpha))-; Anticapsin
Molecular Structure CAS#: 28978-07-6, Anticapsin
Molecular Formula C9H13NO4
Molecular Weight 199.21
CAS Registry Number 28978-07-6
SMILES [C@H]12O[C@H]1C(=O)CC[C@@H]2C[C@H](N)C(=O)O
InChI 1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5+,7-,8+/m1/s1
InChIKey KHVZXXWDPSCGEK-ROHCDXGRSA-N
Properties
Density 1.369g/cm3 (Cal.)
Boiling point 415.857°C at 760 mmHg (Cal.)
Flash point 205.303°C (Cal.)
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