(2S)-2-amino-4-(13C)methyl(1,2,3,4,5-13C5)pentanoic acid|L-Leucine-13C6,d10|(2S)-2-amino-4-(13C)methyl(1,2,3,4,5-1</...

General Information

Structure

Molecular Formula

C₆H₁₃NO₂

Molecular Mass

137.12884903

Exact Mass

137.11475769

Charge

InChI

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

ROHFNLRQFUQHCH-IQUPZBQQSA-N

Canonic Smiles

N[13C@H]([13C](=O)O)[13CH2][13CH]([13CH3])[13CH3]

Isomeric Smiles

[13CH3][13CH]([13CH3])[13CH2][13C@@H]([13C](=O)O)N

Calculated Properties

JChem

Acid pKa

2.787709

H Acceptors

H Donor

LogD (pH = 5.5)

-1.58655

LogD (pH = 7.4)

-1.5889318

Log P

-1.5861572

Molar Refractivity

34.1709

Polarizability

13.835553

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(2S)-2-amino-4-(¹³C)methyl(1,2,3,4,5-¹³C₅)pentanoic acid

Synonyms

L-Leucine-13C6,d10L-Leucine-13C6SILAC Amino Acid

IUPAC Traditional name

(2S)-2-amino-4-(¹³C)methyl(1,2,3,4,5-¹³C₅)pentanoic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD08702858MFCD00144634

PubChem SID

162230441

PubChem CID

71309640

Registration numbers

Properties

Physical Property

Mass Shift

M+16

M+6

Optical Rotation

[α]25/D +14.5°, c = 2 in 5 M HCl

Melting Point

>300 °C(lit.)

Safety Information

MSDS Link

Download link

German water hazard class

Product Information

Mol. Weight

mol wt 147.03 by atom % calculation

mol wt 137.08 by atom % calculation

Linear Formula

(13CD3)213CD13CD213CD(NH2)13CO2H

(13CH3)213CH13CH213CH(NH2)13CO2H

Isotopic Purity

99 atom % 13C

98 atom % D

98 atom % 13C

Purity

95% (CP)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

607940

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

605239

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

(2S)-2-amino-4-(¹³C)methyl(1,2,3,4,5-¹³C₅)pentanoic acid

Synonyms

L-Leucine-13C6,d10L-Leucine-13C6SILAC Amino Acid

IUPAC Traditional name

(2S)-2-amino-4-(¹³C)methyl(1,2,3,4,5-¹³C₅)pentanoic acid

Registration numbers

MDL Number

MFCD08702858MFCD00144634

PubChem SID

162230441

PubChem CID

71309640

Properties

Physical Property

Mass Shift

M+16

M+6

Optical Rotation

[α]25/D +14.5°, c = 2 in 5 M HCl

Melting Point

>300 °C(lit.)

Safety Information

MSDS Link

Download link

German water hazard class

Product Information

Mol. Weight

mol wt 147.03 by atom % calculation

mol wt 137.08 by atom % calculation

Linear Formula

(13CD3)213CD13CD213CD(NH2)13CO2H

(13CH3)213CH13CH213CH(NH2)13CO2H

Isotopic Purity

99 atom % 13C

98 atom % D

98 atom % 13C

Purity

95% (CP)

Molecule Details

Sigma Aldrich

607940

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

605239

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:136170