Ac-Asp (Glu-OH) -OH

CAT: 0121-4028598.0100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0121-4028598.0100Size:100 mg

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CAS Number

4910-46-7

Specifications

G-4590.0100

Synonyms

Β-NAAG β-Spaglumic acid Ac-β-Asp-Glu-OH

Sequence

Ac-Asp (Glu-OH) -OH

Molecular Formula

C₁₁H₁₆N₂O₈

Molecular Weight

304.26

Shipping Conditions

Ambient Temperature

Storage Temperature

< -15°C

Chemical Information

Spaglumic Acid

Spaglumic acid is a peptide.

CAS Number	4910-46-7
PubChem CID	210320
IUPAC Name	(2S)-2-[[(3S)-3-acetamido-3-carboxypropanoyl]amino]pentanedioic acid
Molecular Formula	C11H16N2O8
Molecular Weight	304.25
XLogP	-2.1
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	448

SMILES

CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1

InChIKey

GUCKKCMJTSNWCU-BQBZGAKWSA-N

Chemical Structure

2D Structure

CAS: 4910-46-7

CID: 210320

Formula: C11H16N2O8

MW: 304.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	304.25
XLogP3	-2.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	304.09066547
Monoisotopic Mass	304.09066547
Topological Polar Surface Area	170 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
FA108318-01	Ac-Asp (Glu-OH) -OH
047-01	Ac-Asp-Glu
TRC-G650120-500MG	Glu-Asp-OH
FG108899-01	H-Glu-Glu-Asp-OH
5-02510	Ac-Asp-OH
MBS405915-01	Ac-Asp-Glu; H2O
PDE-4167-01	Ac-Asp-Glu • H2O
JH285345	H-GLU-ASP-OH
FA107998-01	H-Asp-Glu-OH
SAP-3171-V	Ac-Asp-Glu-Val-Asp-AMC

Ac-Asp (Glu-OH) -OH

Chemical Information

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