benzyl N-[(1S,2R)-2-hydroxy-1-[(oxan-2-yloxy)carbamoyl]propyl]carbamate

benzyl N-[(1S,2R)-2-hydroxy-1-[(oxan-2-yloxy)carbamoyl]propyl]carbamate

CAS: 1820598-87-5

Formula: C17H24N2O6

SMILES: C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NOC1CCCCO1

IUPAC: benzyl N-[(1S,2R)-2-hydroxy-1-[(oxan-2-yloxy)carbamoyl]propyl]carbamate

InChI: InChI=1S/C17H24N2O6/c1-12(20)15(16(21)19-25-14-9-5-6-10-23-14)18-17(22)24-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21)/t12-,14?,15+/m1/s1

Composition: C (57.94%), H (6.87%), N (7.95%), O (27.24%)

Molar Mass: 352.387

Atom Count: 49

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	352.163436501
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	ZSUYSCQLCQPTII-ATFAPYMMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.24
Topological Polar Surface Area	106.12
Polarizability	35.06
Ring Count	2
Rotatable Bond Count	8

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