1-azido-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

1-azido-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

CAS: 361189-66-4

Formula: C15H29N3O8

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC: 1-azido-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

InChI: InChI=1S/C15H29N3O8/c16-18-17-2-4-22-6-8-24-10-12-26-14-13-25-11-9-23-7-5-21-3-1-15(19)20/h1-14H2,(H,19,20)

Composition: C (47.49%), H (7.70%), N (11.08%), O (33.73%)

Molar Mass: 379.41

Atom Count: 55

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	379.195464906
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
InChIKey	KQYQHDQBMAJDRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.6
Topological Polar Surface Area	122.11
Polarizability	35.56
Ring Count	0
Rotatable Bond Count	21

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