methyl 1-azido-3,6,9,12-tetraoxahexadecan-16-oate

methyl 1-azido-3,6,9,12-tetraoxahexadecan-16-oate

CAS: 1835759-71-1

Formula: C13H25N3O6

SMILES: COC(=O)CCCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC: methyl 1-azido-3,6,9,12-tetraoxahexadecan-16-oate

InChI: InChI=1S/C13H25N3O6/c1-18-13(17)3-2-5-19-7-9-21-11-12-22-10-8-20-6-4-15-16-14/h2-12H2,1H3

Composition: C (48.89%), H (7.89%), N (13.16%), O (30.06%)

Molar Mass: 319.358

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	319.174335537
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	PZVGELSZWFBVCY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.04
Topological Polar Surface Area	92.65
Polarizability	30.64
Ring Count	0
Rotatable Bond Count	17

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