(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-diamino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

Formula:C23H45N5O14 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-diamino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is not a drug-like molecule.

MolName	(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-diamino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
MolecularFormula	C23H45N5O14
Smiles	NC[C@@H]([C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1OC([C@@H](CO)O[C@H]1O[C@H]([C@@H]([C@H](C[C@@H]2N)O)N)[C@@H]2O[C@H]([C@@H]([C@H]2O)N)O[C@H](CO)[C@H]2O)[C@H]1O
InChI	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)11(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-10(26)6(31)1-5(25)18(20)40-22-12(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8+,9-,10+,11+,12+,13-,14-,15-,16-,17+,18+,19?,20+,21+,22+,23-/m0/s1
InChIK	GIIMBCYFMHNRMR-AZNZTBSZSA-N
TotalMolweight	615.631
Molweight	615.631
MonoisotopicMass	615.296305
CLogP	-9.1987
CLogS	0.236
H Acceptors	19
H Donors	13
TotalSurfaceArea	405.44
Relative PSA	0.59479
PolarSurfaceArea	347.32
Druglikeness	2.3208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	42
NonCHAtoms	19
Electronegative Atoms	19
StereoCenters	19
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Sp3Atoms	42
Amines	5
AlkylAmines	5
BasicNitrogens	5
StereoCon	unknown chirality

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1 - (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-diamino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol | 2 - (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-diamino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

Request More Details | (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-diamino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

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