2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxa-38-azahentetracontan-41-oic acid

2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxa-38-azahentetracontan-41-oic acid

CAS: 1949843-39-3

Formula: C28H57NO14

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCC(O)=O

IUPAC: 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxa-38-azahentetracontan-41-oic acid

InChI: InChI=1S/C28H57NO14/c1-32-6-7-34-10-11-36-14-15-38-18-19-40-22-23-42-26-27-43-25-24-41-21-20-39-17-16-37-13-12-35-9-8-33-5-4-29-3-2-28(30)31/h29H,2-27H2,1H3,(H,30,31)

Composition: C (53.23%), H (9.09%), N (2.22%), O (35.45%)

Molar Mass: 631.757

Atom Count: 100

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	631.377905519
Formal Charge	0
FSP3	0.96
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	2
InChIKey	KWNFYHANXNFDOB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	158
Topological Polar Surface Area	160.09
Polarizability	62.89
Ring Count	0
Rotatable Bond Count	39

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1949843-39-3		$330.75-$926.10$330.75$614.25$926.10