H-D-Ile-OH

CAT: 0127-OR36341-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR36341-01Size:100 mg

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CAS Number

319-78-8

Synonyms

D-Isoleucine

MDL Number

MFCD00064221

Purity

98%

Smiles

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

Chemical Information

D-Isoleucine

D-isoleucine is the D-enantiomer of isoleucine. It has a role as a Saccharomyces cerevisiae metabolite and a bacterial metabolite. It is a D-alpha-amino acid and an isoleucine. It is a conjugate base of a D-isoleucinium. It is a conjugate acid of a D-isoleucinate. It is an enantiomer of a L-isoleucine. It is a tautomer of a D-isoleucine zwitterion.

CAS Number	319-78-8
PubChem CID	76551
IUPAC Name	(2R,3R)-2-amino-3-methylpentanoic acid
Molecular Formula	C6H13NO2
Molecular Weight	131.17
XLogP	-1.7
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1

InChIKey

AGPKZVBTJJNPAG-RFZPGFLSSA-N

Chemical Structure

2D Structure

CAS: 319-78-8

CID: 76551

Formula: C6H13NO2

MW: 131.17

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	131.17
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	131.094628657
Monoisotopic Mass	131.094628657
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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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F-1685.0001	H-D-Ile-OH
5-02937	H-D-Allo-Ile-OH
G-3840.1000	H-D-Ile-Asp-OH
H-3820.0001	H-Ile-Ile-Ile-OH
TRC-I266505-1G	H-Ile-ile-oh
5-02919	H-Ile-OH

H-D-Ile-OH

Chemical Information

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