Text Search
Structure Search

N-[6-({[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-hydroxy-2-(4-nitrophenoxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

N-[6-({[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-hydroxy-2-(4-nitrophenoxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

CAS: 139459-55-5

Formula: C28H41N3O18

SMILES: CC(=O)NC1C(O)C(O)C(CO)OC1OCC1OC(OC2=CC=C(C=C2)[N+]([O-])=O)C(NC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C1O

IUPAC: N-[6-({[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-hydroxy-2-(4-nitrophenoxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

InChI: InChI=1/C28H41N3O18/c1-10(34)29-17-22(39)19(36)14(7-32)46-26(17)44-9-16-21(38)25(49-28-24(41)23(40)20(37)15(8-33)47-28)18(30-11(2)35)27(48-16)45-13-5-3-12(4-6-13)31(42)43/h3-6,14-28,32-33,36-41H,7-9H2,1-2H3,(H,29,34)(H,30,35)

Composition: C (47.53%), H (5.84%), N (5.94%), O (40.70%)

Molar Mass: 707.639

Atom Count: 90

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 15
Exact Mass 707.238511492
Formal Charge 0
FSP3 0.71
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 18
Hydrogen Bond Donor Count 10
InChIKey BISODCLOCFWJIW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 153.53
Topological Polar Surface Area 318.56
Polarizability 62.78
Ring Count 4
Rotatable Bond Count 12

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 139459-55-5 $1,497.30$1,497.30
Request Quote