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

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

Formula: C21H25N3O11S

SMILES: CC(=O)OC[C@H]1O[C@@H](NC(=S)NC2=CC=CC(=C2)[N+]([O-])=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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

InChI: InChI=1S/C21H25N3O11S/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)23-21(36)22-14-6-5-7-15(8-14)24(29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,23,36)/t16-,17-,18+,19-,20-/m1/s1

Composition: C (47.82%), H (4.78%), N (7.97%), O (33.36%), S (6.08%)

Molar Mass: 527.5

Atom Count: 61

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	527.120979811
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	NVTQIDGQWGPKMN-OUUBHVDSSA-N
Lipinski's Rule of Five
Molar Refractivity	123.07
Topological Polar Surface Area	181.63
Polarizability	48.85
Ring Count	2
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25N3O11S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00