2,5-dioxopyrrolidin-1-yl 1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

2,5-dioxopyrrolidin-1-yl 1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

CAS: 2227246-92-4

Formula: C46H68N2O18

SMILES: O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

InChI: InChI=1S/C46H68N2O18/c49-43-9-10-44(50)48(43)66-45(51)11-13-53-15-17-55-19-21-57-23-25-59-27-29-61-31-33-63-35-36-64-34-32-62-30-28-60-26-24-58-22-20-56-18-16-54-14-12-47-46(52)65-37-42-40-7-3-1-5-38(40)39-6-2-4-8-41(39)42/h1-8,42H,9-37H2,(H,47,52)

Composition: C (58.96%), H (7.31%), N (2.99%), O (30.73%)

Molar Mass: 937.046

Atom Count: 134

Heavy Atom Count: 66

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	936.446713358
Formal Charge	0
FSP3	0.65
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	1
InChIKey	HQKUPHFWWTZASE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	237.86
Topological Polar Surface Area	212.77
Polarizability	94.88
Ring Count	4
Rotatable Bond Count	44

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