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1-[(tert-butoxycarbonyl)amino]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxatrihexacontan-63-oic acid

1-[(tert-butoxycarbonyl)amino]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxatrihexacontan-63-oic acid

CAS: 187848-68-6

Formula: C48H95NO24

SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O

IUPAC: 1-{[(tert-butoxy)carbonyl]amino}-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxatrihexacontan-63-oic acid

InChI: InChI=1S/C48H95NO24/c1-48(2,3)73-47(52)49-5-7-54-9-11-56-13-15-58-17-19-60-21-23-62-25-27-64-29-31-66-33-35-68-37-39-70-41-43-72-45-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57-14-12-55-10-8-53-6-4-46(50)51/h4-45H2,1-3H3,(H,49,52)(

Composition: C (53.87%), H (8.95%), N (1.31%), O (35.88%)

Molar Mass: 1070.271

Atom Count: 168

Heavy Atom Count: 73

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 1069.624402943
Formal Charge 0
FSP3 0.96
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 23
Hydrogen Bond Donor Count 2
InChIKey QMWDZLKSNKFDPR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 266.45
Topological Polar Surface Area 260.23
Polarizability 105.85
Ring Count 0
Rotatable Bond Count 65

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