Text Search
Structure Search

1,31-di-tert-butyl 16-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

1,31-di-tert-butyl 16-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

CAS: 2112734-70-8

Formula: C38H75NO16

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCO)CCOCCOCCOCCOCCC(=O)OC(C)(C)C

IUPAC: 1,31-di-tert-butyl 16-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

InChI: InChI=1S/C38H75NO16/c1-37(2,3)54-35(41)7-13-43-19-25-49-31-33-52-28-22-46-16-10-39(9-15-45-21-27-51-30-24-48-18-12-40)11-17-47-23-29-53-34-32-50-26-20-44-14-8-36(42)55-38(4,5)6/h40H,7-34H2,1-6H3

Composition: C (56.91%), H (9.43%), N (1.75%), O (31.92%)

Molar Mass: 802.009

Atom Count: 130

Heavy Atom Count: 55

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 801.508585339
Formal Charge 0
FSP3 0.95
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 1
InChIKey HUNABBFTEGRMNW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 206.48
Topological Polar Surface Area 177.6
Polarizability 82.21
Ring Count 0
Rotatable Bond Count 45

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2112734-70-8 $264.60-$708.75$264.60$453.60$708.75
Request Quote