1-azido-15-{[(tert-butoxycarbonyl)amino]amino}-3,6,9,12-tetraoxapentadecan-15-one

1-azido-15-{[(tert-butoxycarbonyl)amino]amino}-3,6,9,12-tetraoxapentadecan-15-one

CAS: 1919045-01-4

Formula: C16H31N5O7

SMILES: CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC: 1-azido-15-({[(tert-butoxy)carbonyl]amino}amino)-3,6,9,12-tetraoxapentadecan-15-one

InChI: InChI=1S/C16H31N5O7/c1-16(2,3)28-15(23)20-19-14(22)4-6-24-8-10-26-12-13-27-11-9-25-7-5-18-21-17/h4-13H2,1-3H3,(H,19,22)(H,20,23)

Composition: C (47.40%), H (7.71%), N (17.27%), O (27.62%)

Molar Mass: 405.452

Atom Count: 59

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	405.222348358
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	KJOOCVUXCXHMMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.63
Topological Polar Surface Area	133.78
Polarizability	38.58
Ring Count	0
Rotatable Bond Count	18

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