1-[(tert-butoxycarbonyl)amino]-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxatetracontan-40-oic acid

1-[(tert-butoxycarbonyl)amino]-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxatetracontan-40-oic acid

CAS: 187848-68-6

Formula: C32H63NO17

SMILES: CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O

IUPAC: 1-{[(tert-butoxy)carbonyl]amino}-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxatetracontan-40-oic acid

InChI: InChI=1S/C32H63NO17/c1-32(2,3)50-31(36)33-49-29-28-48-27-26-47-25-24-46-23-22-45-21-20-44-19-18-43-17-16-42-15-14-41-13-12-40-11-10-39-9-8-38-7-6-37-5-4-30(34)35/h4-29H2,1-3H3,(H,33,36)(H,34,35)

Composition: C (52.38%), H (8.65%), N (1.91%), O (37.06%)

Molar Mass: 733.846

Atom Count: 113

Heavy Atom Count: 50

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	733.409599573
Formal Charge	0
FSP3	0.94
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	2
InChIKey	VDMRDHSKTJNZGH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	179.45
Topological Polar Surface Area	195.62
Polarizability	71.46
Ring Count	0
Rotatable Bond Count	42

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