Text Search
Structure Search

N-[(2R,4aR,6R,7R,8R,8aS)-6-azido-8-hydroxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[(2R,4aR,6R,7R,8R,8aS)-6-azido-8-hydroxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide

CAS: 168397-51-1

Formula: C15H18N4O5

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@@H](OC[C@H]2O[C@H]1N=[N+]=[N-])C1=CC=CC=C1

IUPAC: N-[(2R,4aR,6R,7R,8R,8aS)-6-azido-8-hydroxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide

InChI: InChI=1S/C15H18N4O5/c1-8(20)17-11-12(21)13-10(23-14(11)18-19-16)7-22-15(24-13)9-5-3-2-4-6-9/h2-6,10-15,21H,7H2,1H3,(H,17,20)/t10-,11+,12-,13+,14-,15-/m1/s1

Composition: C (53.89%), H (5.43%), N (16.76%), O (23.93%)

Molar Mass: 334.332

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 6
Exact Mass 334.127719696
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey PEVZMZIOLKXJNJ-BXLXJSPXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.2
Topological Polar Surface Area 106.45
Polarizability 31.75
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 168397-51-1 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 168397-51-1 $105.57$105.57
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 168397-51-1 $118.45-$166.75$118.45$166.75
Request Quote