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117857-95-1

117857-95-1 structural image
Product Name: (2S,3R,4S)-CCG
Formula: C6H9NO4
Synonyms: (2S,1′R,2′S)-2-(2-Carboxycyclopropyl)glycine;(2S,3R,4S)-CCG;L-CCG-IV
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COMPUTED DESCRIPTORS

Molecular Weight 159.14 g/mol
XLogP3 -3.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 159.05315777 g/mol
Monoisotopic Mass 159.05315777 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 203
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropane-1-carboxylic acid is a natural product found in Aesculus parviflora, Ephedra altissima, and Ephedra fragilis with data available.