(2S,4S,5S,6S)-5-acetamido-2,4-dihydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Formula:C11H19NO9 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S,4S,5S,6S)-5-acetamido-2,4-dihydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is not a drug-like molecule.

MolName	(2S,4S,5S,6S)-5-acetamido-2,4-dihydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
MolecularFormula	C11H19NO9
Smiles	CC(N[C@@H]([C@H](C1)O)[C@@H](C([C@@H](CO)O)O)O[C@@]1(C(O)=O)O)=O
InChI	InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,7-,8?,9+,11+/m1/s1
InChIK	SQVRNKJHWKZAKO-MKTXERFFSA-N
TotalMolweight	309.27
Molweight	309.27
MonoisotopicMass	309.105984
CLogP	-3.9051
CLogS	0.114
H Acceptors	10
H Donors	7
TotalSurfaceArea	207.75
Relative PSA	0.60717
PolarSurfaceArea	176.78
Druglikeness	-0.7991
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	21
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	6
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Sp3Atoms	16
Amides	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - (2S,4S,5S,6S)-5-acetamido-2,4-dihydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | 2 - (2S,4S,5S,6S)-5-acetamido-2,4-dihydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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