Dipinacoline glutamate

CAT: 0931-T31518-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T31518-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

123729-01-1

Target

Others

Related Pathways

Others

Bioactivity

Dipinacoline glutamate is a bioactive chemical.

Smiles

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

Molecular Formula

C17H33NO4

Molecular Weight

315.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Dipinacoline glutamate

CAS Number	123729-01-1
PubChem CID	130035
IUPAC Name	bis(3,3-dimethylbutan-2-yl) (2S)-2-aminopentanedioate
Molecular Formula	C17H33NO4
Molecular Weight	315.4
XLogP	3.7
Topological Polar Surface Area	78.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	22
Formal Charge	0
Complexity	379

SMILES

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

InChI

InChI=1S/C17H33NO4/c1-11(16(3,4)5)21-14(19)10-9-13(18)15(20)22-12(2)17(6,7)8/h11-13H,9-10,18H2,1-8H3/t11?,12?,13-/m0/s1

InChIKey

NWFOJMQOKNLKHC-BPCQOVAHSA-N

Chemical Structure

2D Structure

CAS: 123729-01-1

CID: 130035

Formula: C17H33NO4

MW: 315.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	315.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	315.24095853
Monoisotopic Mass	315.24095853
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Dipinacoline glutamate

Chemical Information

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