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Hypoglycine

CAT: 0926-FH176074-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FH176074-01Size:10 g
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CAS Number
156-56-9
Smiles
C=C1C[C@@H]1C[C@@H] (C (=O) O) N
Molecular Formula
C7H11NO2
Molecular Weight
141.17 g/mol
Controlled
No

Chemical Information

Hypoglycin A

Hypoglycin A is 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). It has a role as a phytotoxin. It contains a (2S,4R)-hypoglycin A and a (2S,4S)-hypoglycin A.

CAS Number156-56-9
PubChem CID45039541
IUPAC Name(2S)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
Molecular FormulaC7H11NO2
Molecular Weight141.17
XLogP-2.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity176
SMILES
C=C1CC1C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5?,6-/m0/s1
InChIKey
OOJZCXFXPZGUBJ-GDVGLLTNSA-N
Chemical Structure
2D Structure
2D structure of Hypoglycin A
CAS: 156-56-9
CID: 45039541
Formula: C7H11NO2
MW: 141.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.17
XLogP3-2.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass141.078978594
Monoisotopic Mass141.078978594
Topological Polar Surface Area63.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-H998410-10MGHypoglycine B
sc-394154S-Hypoglycine A
452123-01Hypoglycine B discontinued
TRC-H998400-1MG(S)-Hypoglycine A, 85%
H9782S-Hypoglycine A, 85%
TRC-H998402-25MG(S)-Hypoglycine A-13C2,15N

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