(2R)-2-amino-5-carbamimidamidopentanoic acid

• ChemBase ID: 3655
• Molecular Formular: C6H14N4O2
• Molecular Mass: 174.20096
• Monoisotopic Mass: 174.11167571
• SMILES: N[C@H](CCCNC(=N)N)C(=O)O
• Canonical SMILES: NC(=N)NCCC[C@H](C(=O)O)N
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1
• InChIKey: ODKSFYDXXFIFQN-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-5-carbamimidamidopentanoic acid
• IUPAC Traditional name: D-arginine
• Synonyms: (R)-2-Amino-5-guanidinopentanoic acid; D-Arginine; D-Arginine; D-2-Amino-5-guanidinopentanoic acid; H-D-Arg-OH; D-ARGININE FREE BASE; (R)-2-Amino-5-guanidinopentanoic acid; D-精氨酸

Database IDs

• CAS Number: 157-06-2
• EC Number: 205-866-5
• MDL Number: MFCD00063116
• Beilstein Number: 1725412
• PubChem SID: 160967093; 46506552; 24890684
• PubChem CID: 71070; 5287702

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.4118392
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -6.1142516
• LogD (pH = 7.4): -5.121845
• Log P: -3.1615653
• Molar Refractivity: 53.9231 cm^3
• Polarizability: 16.904032 Å^3
• Polar Surface Area: 125.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.59
• LOG S: -0.91
• Solubility (Water): 2.57e+01 g/l

PROPERTIES

Physical Property

• Melting Point: ~240 °C (dec.); 226 °C (dec.)(lit.); 226°C (Decomposes); ca 235°C
• Optical Rotation: [α]20/D -24.0±1°, c = 5% in 5 M HCl; [α]20/D -26.5±0.5°, c = 5% in 5 M HCl

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; IRRITANT
• RTECS: CF1934220
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P337+P313; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: rat ... Ppm1a(24666)

Product Information

• Purity: ≥98% (TLC); ≥99.0% (NT); 98%
• Grade: puriss.; purum
• Ignition Residue: ≤0.05%
• Loss on Drying: ~0.5% loss on drying, 20 °C (HV); ≤5% loss on drying, 20 °C (HV)
• Linear Formula: H2NC(=NH)NH(CH2)3CH(NH2)CO2H

DETAILS

MP Biomedicals - 02191238

Free Base

DrugBank - DB04027

• Drug Groups: experimental
• Description: An essential amino acid that is physiologically active in the L-form. [PubChem]

Sigma Aldrich - A2646

包装
1, 5 g in poly bottle
250 mg in poly bottle