1,2-di-tert-butyl 3-methyl (3R)-1,2-diazinane-1,2,3-tricarboxylate

1,2-di-tert-butyl 3-methyl (3R)-1,2-diazinane-1,2,3-tricarboxylate

CAS: 174497-80-4

Formula: C16H28N2O6

SMILES: COC(=O)[C@H]1CCCN(N1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

IUPAC: 1,2-di-tert-butyl 3-methyl (3R)-1,2-diazinane-1,2,3-tricarboxylate

InChI: InChI=1S/C16H28N2O6/c1-15(2,3)23-13(20)17-10-8-9-11(12(19)22-7)18(17)14(21)24-16(4,5)6/h11H,8-10H2,1-7H3/t11-/m1/s1

Composition: C (55.80%), H (8.19%), N (8.13%), O (27.87%)

Molar Mass: 344.408

Atom Count: 52

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	344.19473663
Formal Charge	0
FSP3	0.81
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZZKDHJHPFRZXSJ-LLVKDONJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.12
Topological Polar Surface Area	85.38
Polarizability	34.16
Ring Count	1
Rotatable Bond Count	6

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97%	<2 Days	174497-80-4		$221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00