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[5-azido-4-(benzyloxy)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate

[5-azido-4-(benzyloxy)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate

CAS: 501088-17-1

Formula: C21H23N3O6

SMILES: COC1OC(COC(=O)C2=CC=CC=C2)C(O)C(OCC2=CC=CC=C2)C1N=[N+]=[N-]

IUPAC: [5-azido-4-(benzyloxy)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate

InChI: InChI=1/C21H23N3O6/c1-27-21-17(23-24-22)19(28-12-14-8-4-2-5-9-14)18(25)16(30-21)13-29-20(26)15-10-6-3-7-11-15/h2-11,16-19,21,25H,12-13H2,1H3

Composition: C (61.01%), H (5.61%), N (10.16%), O (23.22%)

Molar Mass: 413.43

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 413.158685473
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey QOEXLISGNMTLDE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.15
Topological Polar Surface Area 103.65
Polarizability 41.52
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 501088-17-1 $10,206.00-$5,670.00$5,670.00$10,206.00$11,340.00
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