L-Tyrosine-2-13C,15N|L-4-Hydroxyphenyl(alanine-2-13C,15N)|L-酪氨酸-2-13C,15N|(2S)-2-amino-3-(4-hydroxyphenyl)(2-13C)propanoic acid|(2S)-2-amino-3-(4-hydroxyphenyl)(2-1</su...

Molecular Formula

C₉H₁₁NO₃

Molecular Mass

183.17460374

Exact Mass

183.07428295

InChI

InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i8+1,10+1

InChIKey

OUYCCCASQSFEME-OIWRJEPOSA-N

Canonic Smiles

OC(=O)[13C@H](Cc1ccc(cc1)O)[15NH2]

Isomeric Smiles

c1cc(ccc1C[13C@@H](C(=O)O)[15NH2])O

JChem

Acid pKa

1.9998473

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4884841

LogD (pH = 7.4)

-1.495157

Log P

-1.488594

Molar Refractivity

47.0972

Polarizability

18.512522

Polar Surface Area

83.55

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

L-Tyrosine-2-13C,15NL-酪氨酸-2-13C,15NL-4-Hydroxyphenyl(alanine-2-13C,15N)L-4-羟基苯基(丙氨酸-2-13C,15N)

IUPAC Traditional name

(2S)-2-amino-3-(4-hydroxyphenyl)(2-¹³C)propanoic acid

IUPAC name

(2S)-2-amino-3-(4-hydroxyphenyl)(2-¹³C)propanoic acid

PubChem SID

162229032

PubChem CID

12209706

Product Information

Isotopic Purity

99 atom % 13C

98 atom % 15N

Linear Formula

4-(HO)C6H4CH213CH(15NH2)CO2H

Mol. Weight

mol wt 183.16 by atom % calculation

Physical Property

Optical Rotation

[α]20/D -10.6°, c = 4 in 1 M HCl

Melting Point

>300 °C (dec.)(lit.)

Mass Shift

M+2

Safety Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Irritant (Xi)

H315-H319-H335

Download link

P261-P305+P351+P338

36/37/38

26-36

Warning

dust mask type N95 (US), Eyeshields, Gloves

No Data Available

Click here to submit data

No Data Available

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Sigma Aldrich

590983

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.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

Synonyms

L-Tyrosine-2-13C,15NL-酪氨酸-2-13C,15NL-4-Hydroxyphenyl(alanine-2-13C,15N)L-4-羟基苯基(丙氨酸-2-13C,15N)

IUPAC Traditional name

(2S)-2-amino-3-(4-hydroxyphenyl)(2-¹³C)propanoic acid

IUPAC name

(2S)-2-amino-3-(4-hydroxyphenyl)(2-¹³C)propanoic acid

PubChem SID

162229032

PubChem CID

12209706

Sigma Aldrich

590983

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.

No Data Available

Click here to submit data

Product Information

Isotopic Purity

99 atom % 13C

98 atom % 15N

Linear Formula

4-(HO)C6H4CH213CH(15NH2)CO2H

Mol. Weight

mol wt 183.16 by atom % calculation

Physical Property

Optical Rotation

[α]20/D -10.6°, c = 4 in 1 M HCl

Melting Point

>300 °C (dec.)(lit.)

Mass Shift

M+2

Safety Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Irritant (Xi)

H315-H319-H335

Download link

P261-P305+P351+P338

36/37/38

26-36

Warning

dust mask type N95 (US), Eyeshields, Gloves

Molecule

ID:134756