(2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane

• ChemBase ID: 173326
• Molecular Formular: C15H21N3O4
• Molecular Mass: 307.34494
• Monoisotopic Mass: 307.15320617
• SMILES: O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1C)N=[N+]=[N-])OCc1ccccc1)OC)OC
• Canonical SMILES: CO[C@@H]1[C@@H](OC)O[C@H]([C@H]([C@@H]1OCc1ccccc1)N=[N+]=[N-])C
• InChI: InChI=1S/C15H21N3O4/c1-10-12(17-18-16)13(14(19-2)15(20-3)22-10)21-9-11-7-5-4-6-8-11/h4-8,10,12-15H,9H2,1-3H3/t10-,12-,13+,14-,15+/m1/s1
• InChIKey: NYGOWLVAGJFTAB-LFHLZQBKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
• IUPAC Traditional name: (2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
• Synonyms: Methyl 4-Azido-4,6-dideoxy-2-O-methyl-3-O-(phenylmethyl)-α-D-glucopyranoside; Methyl 4-Azido-4,6-dideoxy-2-O-methyl-3-O-benzyl-α-D-glucopyranoside

Database IDs

• CAS Number: 861819-28-5
• PubChem SID: 164229236
• PubChem CID: 71750203

CALCULATED PROPERTIES

• Acid pKa: 15.958962
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.474522
• LogD (pH = 7.4): 2.474522
• Log P: 2.5885677
• Molar Refractivity: 79.5384 cm^3
• Polarizability: 31.246092 Å^3
• Polar Surface Area: 66.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow Oil