Chem 23 O Isopropylidene L Threitol Dsrpl

Compound 130
  CheckMol                        TMF02:r0:m0
MF=C7H14O4 MW=162.19
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9879   -1.1055   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -0.5998   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234   -2.3991   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -1.7053   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1874   -0.2117   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -2.0816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049    0.1646   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -3.0695   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0221   -0.5763   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698   -4.5278   -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  0  1  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  1  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  4  7  1  0  1  0  0
M  END

(+)-2,3-O-Isopropylidene-L-threitol

₹ 0.00 0.00

Chemical Name - (+)-2,3-O-Isopropylidene-L-threitol
Mol Weight - 162.184
Smiles - CC1(C)OC(CO)C(CO)O1

Property Name	Property Value
Mol Name	(+)-2,3-O-Isopropylidene-L-threitol
Molweight	162.184
Monoisotopic Mass	162.08921
Clogp	-0.7314
Clogs	-0.682
H Acceptors	4
H Donors	2
Total Surface Area	120.15
Relative Psa	0.38452
Polar Surface Area	58.92
Druglikeness	-3.0615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.4048
Molecular Complexity	0.68024
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	11
Symmetric Atoms	5
Smiles	CC1(C)OC(CO)C(CO)O1
InChIKey	InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3
InChI	INVRLGIKFANLFP-UHFFFAOYSA-N

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(+)-2,3-O-Isopropylidene-L-threitol