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1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oic acid

1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oic acid

CAS: 1191064-81-9

Formula: C36H53NO13

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oic acid

InChI: InChI=1S/C36H53NO13/c38-35(39)9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-28-26-48-24-22-46-20-18-44-16-14-42-12-10-37-36(40)50-29-34-32-7-3-1-5-30(32)31-6-2-4-8-33(31)34/h1-8,34H,9-29H2,(H,37,40)(H,38,39)

Composition: C (61.09%), H (7.55%), N (1.98%), O (29.38%)

Molar Mass: 707.814

Atom Count: 103

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 707.351690771
Formal Charge 0
FSP3 0.61
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 2
InChIKey NEESTRVILHNOJT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 184.17
Topological Polar Surface Area 158.7
Polarizability 73.46
Ring Count 3
Rotatable Bond Count 33

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95% <2 Days 1191064-81-9 $132.30-$1,181.25$132.30$226.80$340.20$1,181.25
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