70261371
  -OEChem-05092417302D

 35 35  0     1  0  0  0  0  0999 V2000
    5.4641    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -2.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  9  2  1  1  0  0  0
  2 27  1  0  0  0  0
 11  3  1  6  0  0  0
  3 28  1  0  0  0  0
 13  4  1  6  0  0  0
  4 29  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  2  0  0  0  0
  7 17  2  0  0  0  0
 10  8  1  6  0  0  0
  8 15  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  1  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70261371

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
321

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAGQGAAAAAAAAAAAAIAIAAATEAIAgAAHQAAHFgCXAAHwcAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-2-oxanyl]methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate

> <PUBCHEM_IUPAC_NAME>
[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-tris(oxidanyl)oxan-2-yl]methyl ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H17NO7/c1-4(12)11-7-9(15)8(14)6(18-10(7)16)3-17-5(2)13/h6-10,14-16H,3H2,1-2H3,(H,11,12)/t6-,7-,8-,9-,10+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BUOUIFKLABWPRZ-IGORNWKESA-N

> <PUBCHEM_XLOGP3_AA>
-2.6

> <PUBCHEM_EXACT_MASS>
263.10050188

> <PUBCHEM_MOLECULAR_FORMULA>
C10H17NO7

> <PUBCHEM_MOLECULAR_WEIGHT>
263.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)COC(=O)C)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COC(=O)C)O)O

> <PUBCHEM_CACTVS_TPSA>
125

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.10050188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  5
9  2  5
11  3  6
13  4  6
10  8  6

$$$$