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tert-butyl 9-{[29-(2-bromoacetamido)-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl]carbamoyl}nonanoate

tert-butyl 9-{[29-(2-bromoacetamido)-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl]carbamoyl}nonanoate

CAS: 2055041-16-0

Formula: C36H69BrN2O13

SMILES: CC(C)(C)OC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr

IUPAC: tert-butyl 9-{[29-(2-bromoacetamido)-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl]carbamoyl}nonanoate

InChI: InChI=1S/C36H69BrN2O13/c1-36(2,3)52-35(42)11-9-7-5-4-6-8-10-33(40)38-12-14-43-16-18-45-20-22-47-24-26-49-28-30-51-31-29-50-27-25-48-23-21-46-19-17-44-15-13-39-34(41)32-37/h4-32H2,1-3H3,(H,38,40)(H,39,41)

Composition: C (52.87%), H (8.50%), Br (9.77%), N (3.43%), O (25.43%)

Molar Mass: 817.853

Atom Count: 121

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 816.398303
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 2
InChIKey ZZVSVZBPNGNNOE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 200.96
Topological Polar Surface Area 167.57
Polarizability 79.36
Ring Count 0
Rotatable Bond Count 42

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Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2055041-16-0 $359.10-$1,181.25$359.10$642.60$1,181.25
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