Text Search
Structure Search

[3,4,5-tris(acetyloxy)-6-{[(2-aminocyclohexyl)carbamothioyl]amino}oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-{[(2-aminocyclohexyl)carbamothioyl]amino}oxan-2-yl]methyl acetate

Formula: C21H33N3O9S

SMILES: CC(=O)OCC1OC(NC(=S)NC2CCCCC2N)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

IUPAC: [3,4,5-tris(acetyloxy)-6-{[(2-aminocyclohexyl)carbamothioyl]amino}oxan-2-yl]methyl acetate

InChI: InChI=1/C21H33N3O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-8-6-5-7-14(15)22/h14-20H,5-9,22H2,1-4H3,(H2,23,24,34)

Composition: C (50.09%), H (6.61%), N (8.34%), O (28.59%), S (6.37%)

Molar Mass: 503.57

Atom Count: 67

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 7
Exact Mass 503.193750829
Formal Charge 0
FSP3 0.76
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey JSUQXDLAAYLMNS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 119.23
Topological Polar Surface Area 164.51
Polarizability 49.15
Ring Count 2
Rotatable Bond Count 11

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C21H33N3O9S Quote Only
Request Quote
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C21H33N3O9S Quote Only
Request Quote