tert-butyl 1-(2-bromoacetamido)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

tert-butyl 1-(2-bromoacetamido)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

CAS: 2055041-16-0

Formula: C25H48BrNO11

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr

IUPAC: tert-butyl 1-(2-bromoacetamido)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

InChI: InChI=1S/C25H48BrNO11/c1-25(2,3)38-24(29)4-6-30-8-10-32-12-14-34-16-18-36-20-21-37-19-17-35-15-13-33-11-9-31-7-5-27-23(28)22-26/h4-22H2,1-3H3,(H,27,28)

Composition: C (48.54%), H (7.82%), Br (12.92%), N (2.26%), O (28.45%)

Molar Mass: 618.559

Atom Count: 86

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	617.241074
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
InChIKey	BPWCFBGOCYWQSQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.81
Topological Polar Surface Area	129.24
Polarizability	57.28
Ring Count	0
Rotatable Bond Count	30

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