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

Formula:C29H55N5O18 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is not a drug-like molecule.
MolName(2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MolecularFormulaC29H55N5O18
SmilesNC[C@@H]([C@H]([C@@H]([C@H]1N)O)O[C@H]([C@H]([C@H]2O)O)O[C@H](CO)[C@H]2O)O[C@@H]1O[C@H]([C@@H](CO)O[C@H]1O[C@H]([C@H]([C@@H](C[C@@H]2N)N)O)[C@@H]2O[C@@H]([C@@H](C2)N)O[C@H](CO)[C@H]2O)[C@H]1O
InChIInChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8-,9+,10+,11-,12+,13+,14+,15+,16-,17-,18+,
InChIKDBLVDAUGBTYDFR-BFAPECHXSA-N
TotalMolweight761.773
Molweight761.773
MonoisotopicMass761.354215
CLogP-10.184
CLogS0.137
H Acceptors23
H Donors15
TotalSurfaceArea502.16
Relative PSA0.57223
PolarSurfaceArea406.24
Druglikeness-2.5112
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44231
Fragments1
Non HAtoms52
NonCHAtoms23
Electronegative Atoms23
StereoCenters23
Rotatable Bond12
Rings Closures5
Small Rings5
Sp3Atoms52
Amines5
AlkylAmines5
BasicNitrogens5
StereoConthis enantiomer

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


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