2′-Deoxymugineic Acid

CAT: 0024-sc-500398Size: 250 µgDry Ice: NoHazardous: No

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CAT#:0024-sc-500398Size:250 µg

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CAS Number

74235-24-8

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 Number	74235-24-8
PubChem CID	189811
IUPAC Name	(2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid
Molecular Formula	C12H20N2O7
Molecular Weight	304.30
XLogP	-5.7
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Heavy Atom Count	21
Formal Charge	0
Complexity	401

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

CAS: 74235-24-8

CID: 189811

Formula: C12H20N2O7

MW: 304.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.30
XLogP3	-5.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	304.12705098
Monoisotopic Mass	304.12705098
Topological Polar Surface Area	147 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	401
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

Catalog	Name
sc-283301	2,2-Dimethylnonanoic Acid
sc-230702	2,2-Difluorobutyric acid
sc-275212	2,2-Dimethylhexanoic acid
sc-283301A	2,2-Dimethylnonanoic Acid
sc-230711	2,2-Dimethylbutyric acid
sc-288344	2,2-Dimethylethenylboronic acid
sc-225560	2,2-Difluorocyclopropanecarboxylic acid
sc-251823	2,2'-Dithiodibenzoic acid
sc-238225	2,2-Dichloropropionic acid
sc-230717	2,2-Diphenylpropionic acid

Catalog	Name
TBW00125	2'-Deoxymugineic acid
008128	2’-Deoxymugineic Acid
MBS1407884-01	Recombinant Hordeum vulgare 2'-deoxymugineic-acid 2'-dioxygenase (IDS3)
TRC-B809110-25MG	3”-O-tert-Butyl-2’-deoxymugineic Acid tert-Butyl Diethyl Ester
160863	3”-O-tert-Butyl-2’-deoxymugineic Acid tert-Butyl Diethyl Ester
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)