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C15H24O10 | Cheminformatics

(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Molecular Formula : C15H24O10 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |

MolName : (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

MolecularFormula : C15H24O10

Smiles : OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@@H]1OCC[C@@H]2[C@H]1[C@@]1(CO)O[C@H]1[C@H]2O

InChI : InChI=1S/C15H24O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h5-14,16-21H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12-,13-,14-,15+/m0/s1

InChIK : NYCXYIWXBJWWIL-CDEJVSDRSA-N

TotalMolweight : 364.346

Molweight : 364.346

MonoisotopicMass : 364.13695

CLogP : -3.3428

CLogS : -0.337

H Acceptors : 10

H Donors : 6

TotalSurfaceArea : 235.7

Relative PSA : 0.53564

PolarSurfaceArea : 161.6

Druglikeness : -4.3182

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : oxiran/aziridine

Shape Index : 0.44

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 11

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 5

Sp3Atoms : 25

StereoCon : this enantiomer

Request More Details | (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol


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