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

Formula:C23H46N6O13 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol is not a drug-like molecule.
MolName(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
MolecularFormulaC23H46N6O13
SmilesNC[C@@H]([C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@H]([C@@H](CO)OC1O[C@H]([C@H]([C@@H](C[C@@H]2N)N)O)[C@@H]2OC([C@@H]([C@H]2O)N)O[C@H](CN)[C@H]2O)[C@H]1O
InChIInChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6-,7+,8-,9-,10+,11+,12-,13-,14-,15-,16-,17+,18+,19-,20+,21?,22+,23?/m0/s1
InChIKPGBHMTALBVVCIT-WUSLNYIZSA-N
TotalMolweight614.647
Molweight614.647
MonoisotopicMass614.312289
CLogP-9.5965
CLogS0.16
H Acceptors19
H Donors13
TotalSurfaceArea407.61
Relative PSA0.59694
PolarSurfaceArea353.11
Druglikeness2.6059
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms42
NonCHAtoms19
Electronegative Atoms19
StereoCenters19
Rotatable Bond9
Rings Closures4
Small Rings4
Sp3Atoms42
Amines6
AlkylAmines6
BasicNitrogens6
StereoConunknown chirality

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


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