4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride

• ChemBase ID: 104319
• Molecular Formular: C7H16ClNO3
• Molecular Mass: 197.65984
• Monoisotopic Mass: 197.08187106
• SMILES: Cl.COC1CC(N)C(O)C(C)O1
• Canonical SMILES: COC1CC(N)C(C(O1)C)O.Cl
• InChI: InChI=1S/C7H15NO3.ClH/c1-4-7(9)5(8)3-6(10-2)11-4;/h4-7,9H,3,8H2,1-2H3;1H
• InChIKey: JVYGBUAXDCLPMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride
• IUPAC Traditional name: 4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride
• Synonyms: Daunosamine β-methyl glycoside; Methyl β-L-daunosaminide hydrochloride; Acosamine methyl glycoside; METHYL-L-ACOSAMINIDE; Daunosamine β-methyl glycoside; METHYL-β-L-DAUNOSAMINIDE

Database IDs

• CAS Number: 115388-97-1; 54623-24-4
• MDL Number: MFCD00270034
• PubChem SID: 162091524; 24896708
• PubChem CID: 16219632

CALCULATED PROPERTIES

• Acid pKa: 13.615076
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.4501855
• LogD (pH = 7.4): -2.6381607
• Log P: -0.44874647
• Molar Refractivity: 39.2777 cm^3
• Polarizability: 16.46614 Å^3
• Polar Surface Area: 64.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Impurities: ≤10% inorganic salts

DETAILS

MP Biomedicals - 02155510

(Daunosamine β-methyl glycoside) Hydrochloride May contain up to 10% inorganic salts.

MP Biomedicals - 02155457

(Acosamine methyl glycoside) Hydrochloride