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tert-butyl 1-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]-3,6,9,12,15,18-hexaoxahenicosan-21-oate

tert-butyl 1-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]-3,6,9,12,15,18-hexaoxahenicosan-21-oate

Formula: C30H51NO10

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12

IUPAC: tert-butyl 1-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}-3,6,9,12,15,18-hexaoxahenicosan-21-oate

InChI: InChI=1/C30H51NO10/c1-30(2,3)41-28(32)10-12-34-14-16-36-18-20-38-22-23-39-21-19-37-17-15-35-13-11-31-29(33)40-24-27-25-8-6-4-5-7-9-26(25)27/h25-27H,6-24H2,1-3H3,(H,31,33)

Composition: C (61.52%), H (8.78%), N (2.39%), O (27.31%)

Molar Mass: 585.735

Atom Count: 92

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 585.351296846
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey GEJQWPAOPDUTFO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 153.61
Topological Polar Surface Area 120.01
Polarizability 60.36
Ring Count 2
Rotatable Bond Count 26

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C30H51NO10 $226.80-$708.75$226.80$425.25$708.75
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