[(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)-6-[2-methoxy-4-(morpholine-4-carbonyl)phenoxy]oxan-2-yl]methyl acetate

• ChemBase ID: 186216
• Molecular Formular: C26H33NO13
• Molecular Mass: 567.53912
• Monoisotopic Mass: 567.19519012
• SMILES: [C@H]1([C@H]([C@@H]([C@H](OC1Oc1c(cc(C(=O)N2CCOCC2)cc1)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: COc1cc(ccc1OC1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1CCOCC1
• InChI: InChI=1S/C26H33NO13/c1-14(28)35-13-21-22(36-15(2)29)23(37-16(3)30)24(38-17(4)31)26(40-21)39-19-7-6-18(12-20(19)33-5)25(32)27-8-10-34-11-9-27/h6-7,12,21-24,26H,8-11,13H2,1-5H3/t21-,22-,23+,24-,26?/m1/s1
• InChIKey: KAGLYCBCVFCTRB-HGXYQMEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)-6-[2-methoxy-4-(morpholine-4-carbonyl)phenoxy]oxan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)-6-[2-methoxy-4-(morpholine-4-carbonyl)phenoxy]oxan-2-yl]methyl acetate

Database IDs

• PubChem SID: 164242126
• PubChem CID: 16396513

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): 0.08793438
• LogD (pH = 7.4): 0.08793475
• Log P: 0.08793475
• Molar Refractivity: 131.1988 cm^3
• Polarizability: 52.853004 Å^3
• Polar Surface Area: 162.43 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds