5-amino-6-({2-amino-6-[(4-{[6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-2-yl)oxy]cyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol

5-amino-6-({2-amino-6-[(4-{[6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-2-yl)oxy]cyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol

CAS: 1263-89-4

Formula: C23H43N3O11

SMILES: NCC1OC(CCC1O)OC1CC(OC2CCCC(N)C2OC2OC(CO)C(O)C(O)C2N)OC1CO

IUPAC: 5-amino-6-({2-amino-6-[(4-{[6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-2-yl)oxy]cyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol

InChI: InChI=1/C23H43N3O11/c24-7-14-11(29)4-5-17(34-14)33-13-6-18(35-15(13)8-27)32-12-3-1-2-10(25)22(12)37-23-19(26)21(31)20(30)16(9-28)36-23/h10-23,27-31H,1-9,24-26H2

Composition: C (51.39%), H (8.06%), N (7.82%), O (32.74%)

Molar Mass: 537.607

Atom Count: 80

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	14
Exact Mass	537.289759217
Formal Charge	0
FSP3	1
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	8
InChIKey	SKORPYDOFPWSRW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	124.43
Topological Polar Surface Area	234.59
Polarizability	52.27
Ring Count	4
Rotatable Bond Count	9

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98%	<7 Days	1263-89-4		$6.21-$232.88$6.21$18.63$34.16$71.42$232.88

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98%	<5 Days	1263-89-4		$59.27-$1,068.07$59.27$117.27$311.47$1,068.07