2,6-diamino-5-hydroxyhexanoic acid hydrochloride

• ChemBase ID: 110073
• Molecular Formular: C6H15ClN2O3
• Molecular Mass: 198.6479
• Monoisotopic Mass: 198.07712003
• SMILES: Cl.NCC(O)CCC(N)C(=O)O
• Canonical SMILES: NCC(CCC(C(=O)O)N)O.Cl
• InChI: InChI=1S/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H
• InChIKey: MJXVOTKVFFAZQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diamino-5-hydroxyhexanoic acid hydrochloride
• IUPAC Traditional name: 5-hydroxylysine hydrochloride; hydroxylysine hydrochloride
• Synonyms: DL-5-Hydroxylysine hydrochloride; DL-delta-HYDROXYLYSINE MONO HCl (ALLO); 2,6-Diamino-5-hydroxycaproic acid hydrochloride; 2,6-Diamino-5-hydroxyhexanoic acid hydrochloride; 5-Hydroxylysine Dihydrochloride; NSC 206302; DL-5-Hydroxy-DL-lysine Dihydrochloride; 2,6-Diamino-5-hydroxycaproic acid 盐酸盐; 2,6-二氨基-5-羟基己酸 盐酸盐; 5-羟基-DL-赖氨酸 盐酸盐

Database IDs

• CAS Number: 13204-98-3
• EC Number: 236-168-9
• MDL Number: MFCD00012878
• Beilstein Number: 3914368
• PubChem SID: 162095395; 24879160; 24895397
• PubChem CID: 2724399

CALCULATED PROPERTIES

• Acid pKa: 2.4473858
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -6.9695425
• LogD (pH = 7.4): -5.707041
• Log P: -4.414213
• Molar Refractivity: 39.171 cm^3
• Polarizability: 16.03129 Å^3
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 °C (dec.)(lit.); 230 °C (dec.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (AT); 95%
• Grade: purum
• Linear Formula: NH2CH2CH(OH)CH2CH2CH(NH2)COOH · HCl

DETAILS

MP Biomedicals - 05213647

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H0377

Other Notes
Mixed DL and DL-allo
包装
1 g in poly bottle
100, 250 mg in poly bottle

Sigma Aldrich - 859370

Features and Benefits
A constituent of collagen.

Toronto Research Chemicals - H943900

Amino acid substitute tumor growth.

REFERENCES

• Villiers, C.L., et al.: Eur. J. Biochem., 140, 421 (1984)