DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8|2-amino-4-{[3-amino-3-carboxy(1,1,2,2-2H4)propyl]disulfanyl}(3,3,4,4-2H4)butanoic acid|DL-高胱氨酸-3,3,3′,3′,4...

Molecular Formula

C₈H₁₆N₂O₄S₂

Molecular Mass

268.35364

Exact Mass

268.055149

InChI

InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)

InChIKey

ZTVZLYBCZNMWCF-UHFFFAOYSA-N

Canonic Smiles

NC(C(=O)O)CCSSCCC(C(=O)O)N

Isomeric Smiles

C(C(C(=O)O)N)CSSCCC(C(=O)O)N

JChem

Acid pKa

1.8009555

H Acceptors

H Donor

LogD (pH = 5.5)

-5.320504

LogD (pH = 7.4)

-5.326616

Log P

-5.320484

Molar Refractivity

64.3818

Polarizability

25.807968

Polar Surface Area

126.64

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8DL-高胱氨酸-3,3,3′,3′,4,4,4′,4′-d8

IUPAC name

2-amino-4-{[3-amino-3-carboxy(1,1,2,2-²H₄)propyl]disulfanyl}(3,3,4,4-²H₄)butanoic acid

IUPAC Traditional name

2-amino-4-{[3-amino-3-carboxy(1,1,2,2-²H₄)propyl]disulfanyl}(3,3,4,4-²H₄)butanoic acid

MDL Number

MFCD00209738

PubChem SID

162230539

PubChem CID

11265862

Safety Information

MSDS Link

Download link

European Hazard Symbols

Irritant (Xi)

P305+P351+P338

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

Warning

H319

Product Information

C8D8H8N2O4S2

98 atom % D

mol wt 276.24 by atom % calculation

Physical Property

M+8

No Data Available

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No Data Available

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Sigma Aldrich

724955

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

DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8DL-高胱氨酸-3,3,3′,3′,4,4,4′,4′-d8

IUPAC name

2-amino-4-{[3-amino-3-carboxy(1,1,2,2-²H₄)propyl]disulfanyl}(3,3,4,4-²H₄)butanoic acid

IUPAC Traditional name

2-amino-4-{[3-amino-3-carboxy(1,1,2,2-²H₄)propyl]disulfanyl}(3,3,4,4-²H₄)butanoic acid

MDL Number

PubChem SID

PubChem CID

724955

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

Safety Information

MSDS Link

Download link

European Hazard Symbols

Irritant (Xi)

P305+P351+P338

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

Warning

H319

Product Information

C8D8H8N2O4S2

98 atom % D

mol wt 276.24 by atom % calculation

Physical Property

M+8

Molecule

ID:136268