kukoamine B

kukoamine B

CAS: 164991-67-7

Formula: C28H42N4O6

SMILES: NCCCN(CCCCNCCCNC(=O)CCC1=CC(O)=C(O)C=C1)C(=O)CCC1=CC(O)=C(O)C=C1

IUPAC: N-[3-({4-[N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamido]butyl}amino)propyl]-3-(3,4-dihydroxyphenyl)propanamide

InChI: InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)

Composition: C (63.37%), H (7.98%), N (10.56%), O (18.09%)

Molar Mass: 530.666

Atom Count: 80

Heavy Atom Count: 38

Properties

Properties

Common Names	kukoamine B
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	530.310435088
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	7
InChIKey	IWRAOCFRRTWUDF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	148.14
Topological Polar Surface Area	168.38
Polarizability	57.29
Ring Count	2
Rotatable Bond Count	18

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98%	<14 Days	164991-67-7		Quote Only