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1-amino-3,6,9,12,15-pentaoxaoctadecan-18-oic acid

1-amino-3,6,9,12,15-pentaoxaoctadecan-18-oic acid

CAS: 1191078-74-6

Formula: C13H27NO7

SMILES: NCCOCCOCCOCCOCCOCCC(O)=O

IUPAC: 1-amino-3,6,9,12,15-pentaoxaoctadecan-18-oic acid

InChI: InChI=1S/C13H27NO7/c14-2-4-18-6-8-20-10-12-21-11-9-19-7-5-17-3-1-13(15)16/h1-12,14H2,(H,15,16)

Composition: C (50.47%), H (8.80%), N (4.53%), O (36.20%)

Molar Mass: 309.359

Atom Count: 48

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 309.178752213
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey ZTYIBTVLGAIXDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.92
Topological Polar Surface Area 109.47
Polarizability 30.32
Ring Count 0
Rotatable Bond Count 17

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