tert-butyl (1S,6R,7R)-7-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

tert-butyl (1S,6R,7R)-7-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

Formula: C16H25BN2O6

SMILES: [H][C@]12CCN(C[C@@]1([H])[C@@H]2B1OC(=O)CN(C)CC(=O)O1)C(=O)OC(C)(C)C

IUPAC: tert-butyl (1S,6R,7R)-7-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

InChI: InChI=1S/C16H25BN2O6/c1-16(2,3)23-15(22)19-6-5-10-11(7-19)14(10)17-24-12(20)8-18(4)9-13(21)25-17/h10-11,14H,5-9H2,1-4H3/t10-,11-,14+/m1/s1

Composition: C (54.57%), H (7.16%), B (3.07%), N (7.95%), O (27.26%)

Molar Mass: 352.19

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	352.180567
Formal Charge	0
FSP3	0.81
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FLTSBMMUIPIBTN-MISXGVKJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.63
Topological Polar Surface Area	85.38
Polarizability	35.05
Ring Count	3
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C16H25BN2O6		$162.78-$537.51$162.78$162.78$537.51$537.51