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2'-Deoxymugineic acid

CAT: 0804-HY-W127849Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-W127849Size:50 µg
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Description
2′-Deoxymugineic Acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
74235-24-8
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-deoxymugineic-acid.html
Solubility
10 mM in DMSO
Smiles
C(CN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)O
Molecular Formula
C12H20N2O7
Molecular Weight
304.30
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2'-Deoxymugineic acid

2'-deoxymugineic acid is a tricarboxylic acid. It is functionally related to a mugineic acid. It is a conjugate acid of a 2'-deoxymugineate.

CAS Number74235-24-8
PubChem CID189811
IUPAC Name(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid
Molecular FormulaC12H20N2O7
Molecular Weight304.30
XLogP-5.7
Topological Polar Surface Area147
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity401
SMILES
C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O
InChI
InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
InChIKey
CUZKLRTTYZOCSD-CIUDSAMLSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxymugineic acid
CAS: 74235-24-8
CID: 189811
Formula: C12H20N2O7
MW: 304.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.30
XLogP3-5.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass304.12705098
Monoisotopic Mass304.12705098
Topological Polar Surface Area147 Ų
Heavy Atom Count21
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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