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41-amino-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontan-1-ol

41-amino-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontan-1-ol

CAS: 34214-89-6

Formula: C28H59NO14

SMILES: NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC: 41-amino-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontan-1-ol

InChI: InChI=1S/C28H59NO14/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h30H,1-29H2

Composition: C (53.06%), H (9.38%), N (2.21%), O (35.34%)

Molar Mass: 633.773

Atom Count: 102

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 633.393555584
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 2
InChIKey VDYXUUXKLNRRGU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 159.78
Topological Polar Surface Area 166.24
Polarizability 63.67
Ring Count 0
Rotatable Bond Count 40

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