Compound 114
  CheckMol                        TMF02:r0:m0
MF=C12H22O11 MW=342.30
 23 24  0  2  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119   -0.7328   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883   -0.7446   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6238    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237   -2.2220   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765   -2.2338   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9357   -0.7210   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -2.9548   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -2.9784   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648   -0.7328   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1012   -2.1983   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3186   -0.0946   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0303    0.7919   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4558   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5786   -2.4938   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6377    1.3828   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3350   -1.1937   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7775    1.6192   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2050   -3.8530   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8360   -1.0283   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7060   -3.9948   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  1  0  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  3  7  1  6  0  0  0
  8  4  1  6  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  1  0  0
  6 11  1  1  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  1  0  0
  8 14  1  0  1  0  0
  8 15  1  0  0  0  0
 10 16  1  6  0  0  0
 13 17  1  0  1  0  0
 14 18  1  6  0  0  0
 14 19  1  0  1  0  0
 15 20  1  0  0  0  0
 17 21  1  6  0  0  0
 19 22  1  1  0  0  0
 21 23  1  0  0  0  0
  6 10  1  0  1  0  0
 17 19  1  0  1  0  0
M  END

2D Structure

Sucrose

₹ 0.00 0.00

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Chemical Name - Sucrose
Mol Weight - 342.296
Smiles - OC[C@H]([C@H]([C@@H]1O)O)O[C@@]1(CO)O[C@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O

Property Name	Property Value
Mol Name	Sucrose
Molweight	342.296
Monoisotopic Mass	342.116215
Clogp	-4.6102
Clogs	0.682
H Acceptors	11
H Donors	8
Total Surface Area	218.99
Relative Psa	0.61555
Polar Surface Area	189.53
Druglikeness	-6.8467
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.47826
Molecular Flexibility	0.4524
Molecular Complexity	0.87243
Fragments	1
Non H Atoms	23
Non Ch Atoms	11
Electronegative Atoms	11
Stereo Centers	9
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Sp3 Atoms	23
Smiles	OC[C@H]([C@H]([C@@H]1O)O)O[C@@]1(CO)O[C@H]([C@@H]([C@H]1O)O)O[C@H](CO)[C@H]1O
InChIKey	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChI	CZMRCDWAGMRECN-VIIFIRCHSA-N

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1 — Sucrose | 2 — Sucrose