Text Search
Structure Search

tert-butyl 17-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]heptadecanoate

tert-butyl 17-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]heptadecanoate

CAS: 1818294-45-9

Formula: C42H82N4O12

SMILES: CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC: tert-butyl 17-[(29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)carbamoyl]heptadecanoate

InChI: InChI=1S/C42H82N4O12/c1-42(2,3)58-41(48)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-40(47)44-20-22-49-24-26-51-28-30-53-32-34-55-36-38-57-39-37-56-35-33-54-31-29-52-27-25-50-23-21-45-46-43/h4-39H2,1-3H3,(H,44,47)

Composition: C (60.40%), H (9.90%), N (6.71%), O (22.99%)

Molar Mass: 835.134

Atom Count: 140

Heavy Atom Count: 58

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 834.592924096
Formal Charge 0
FSP3 0.95
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 1
InChIKey OIKRZOBHQHTSGO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 225.22
Topological Polar Surface Area 167.9
Polarizability 88.64
Ring Count 0
Rotatable Bond Count 49

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1818294-45-9 $302.40-$793.80$302.40$453.60$793.80
Request Quote