5,16-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2,4,6,13,15-hexaene-4,15-diol

5,16-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2,4,6,13,15-hexaene-4,15-diol

CAS: 72361-67-2

Formula: C18H19NO4

SMILES: COC1=C(O)C=C2C(CC3NCCC4=CC(O)=C(OC)C2=C34)=C1

IUPAC: 5,16-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(17),2,4,6,13,15-hexaene-4,15-diol

InChI: InChI=1/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3

Composition: C (69.00%), H (6.11%), N (4.47%), O (20.42%)

Molar Mass: 313.353

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	313.131408096
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	URQAEFLEDPPPFX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.62
Topological Polar Surface Area	70.95
Polarizability	34.79
Ring Count	4
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	72361-67-2		$142.94-$530.49$142.94$235.44$353.92$530.49