heptadecan-9-yl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate

heptadecan-9-yl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate

CAS: 2089251-47-6

Formula: C44H87NO5

SMILES: CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC

IUPAC: heptadecan-9-yl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate

InChI: InChI=1S/C44H87NO5/c1-4-7-10-13-16-17-18-24-32-41-49-43(47)35-29-25-31-38-45(39-40-46)37-30-23-19-22-28-36-44(48)50-42(33-26-20-14-11-8-5-2)34-27-21-15-12-9-6-3/h42,46H,4-41H2,1-3H3

Composition: C (74.42%), H (12.35%), N (1.97%), O (11.26%)

Molar Mass: 710.182

Atom Count: 137

Heavy Atom Count: 50

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	709.658424905
Formal Charge	0
FSP3	0.95
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BGNVBNJYBVCBJH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	214.01
Topological Polar Surface Area	76.07
Polarizability	85.47
Ring Count	0
Rotatable Bond Count	43

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