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

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

CAS: 756526-02-0

Formula: C34H49NO12

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=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-octaoxaheptacosan-27-oic acid

InChI: InChI=1S/C34H49NO12/c36-33(37)9-11-39-13-15-41-17-19-43-21-23-45-25-26-46-24-22-44-20-18-42-16-14-40-12-10-35-34(38)47-27-32-30-7-3-1-5-28(30)29-6-2-4-8-31(29)32/h1-8,32H,9-27H2,(H,35,38)(H,36,37)

Composition: C (61.52%), H (7.44%), N (2.11%), O (28.92%)

Molar Mass: 663.761

Atom Count: 96

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 663.325476022
Formal Charge 0
FSP3 0.59
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 2
InChIKey VYXGUCLTEWCVRY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 173.13
Topological Polar Surface Area 149.47
Polarizability 69.07
Ring Count 3
Rotatable Bond Count 30

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 756526-02-0 $202.40-$708.40$202.40$708.40
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 756526-02-0 $141.75-$793.80$141.75$217.35$292.95$793.80
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