Sign In Join Free

Products Information

Boc-L-Hyp-OH
Boc-L-Hyp-OH ID: B182973
CAS:13726-69-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@H](C1)O	
FORMULA: C10H17NO5
MASS: 231.2457
EXACT MASS: 231.1106726
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7401     0.0000 
   C   3    0.7417     1.3193     0.0000 
   C   4    1.3231     1.6125     0.7426     0.0000 
   O   5    1.2861     0.7425     1.5498     1.4778     0.0000 
   C   6    1.2051     1.9222     0.7457     1.3241     2.2756     0.0000 
   C   7    0.7432     1.3248     1.1984     1.9192     1.9896     1.2000 
   O   8    1.2836     0.7464     1.9851     2.3557     1.2909     2.4745 
   C   9    1.2056     1.9238     1.2030     1.9221     2.4777     0.7426 
   O  10    1.9851     2.3515     1.2836     0.7422     2.1872     1.5451 
   C  11    1.9640     1.2866     2.2922     2.1677     0.7426     3.0141 
   O  12    1.5522     1.4778     1.2866     0.7425     1.0125     1.9898 
   O  13    1.9228     2.6130     1.9244     2.6168     3.2059     1.3269 
   C  14    2.5685     1.9609     2.7476     2.4334     1.2824     3.4923 
   C  15    2.2252     1.4851     2.7281     2.7618     1.2852     3.3919 
   C  16    2.6886     1.9840     3.0301     2.8617     1.4804     3.7537 

              C   7      O   8      C   9      O  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.5502     0.0000 
   C   9    0.7426     2.2730     0.0000 
   O  10    2.4673     3.0917     2.2673     0.0000 
   C  11    2.6105     1.4905     3.1694     2.8362     0.0000 
   O  12    2.2736     2.1912     2.4769     1.2876     1.5692     0.0000 
   O  13    1.3193     2.8560     0.7417     2.8605     3.8816     3.2079 
   C  14    3.2628     2.2291     3.7559     2.9894     0.7387     1.7170 
   C  15    2.7322     1.2902     3.3928     3.4709     0.7417     2.2486 
   C  16    3.3046     2.0131     3.8934     3.4920     0.7396     2.2050 

              O  13      C  14      C  15      C  16
              --------------------------------------------
   O  13    0.0000 
   C  14    4.4872     0.0000 
   C  15    4.0501     1.2827     0.0000 
   C  16    4.5956     0.6760     0.8032     0.0000 



ATOMIC CHARGES
   N   1   -0.2344379491
   C   2    0.4051041002
   C   3    0.1841871354
   C   4    0.3826351679
   O   5   -0.4417808913
   C   6    0.0661999216
   C   7    0.1300444524
   O   8   -0.2261854754
   C   9    0.1740412515
   O  10   -0.2438141556
   C  11    0.1378300128
   O  12   -0.2438141556
   O  13   -0.2212339719
   C  14    0.0437415191
   C  15    0.0437415191
   C  16    0.0437415191


BOND ANGLES
   2    1    3   C2  Nam   C3    125.836
   2    1    7   C2  Nam   C3    126.541
   3    1    7   C3  Nam   C3    107.623
   1    2    5  Nam   C2   O3    120.334
   1    2    8  Nam   C2   O2    119.428
   5    2    8   O3   C2   O2    120.239
   1    3    4  Nam   C3  Cac    126.098
   1    3    6  Nam   C3   C3    108.231
   4    3    6  Cac   C3   C3    125.671
   3    4   10   C3  Cac O.co2    119.654
   3    4   12   C3  Cac O.co2    120.071
  10    4   12 O.co2  Cac O.co2    120.275
   2    5   11   C2   O3   C3    120.071
   3    6    9   C3   C3   C3    107.867
   1    7    9  Nam   C3   C3    108.475
   7    9   13   C3   C3   O3    125.457
   6    9    7   C3   C3   C3    107.803
   6    9   13   C3   C3   O3    126.739
   5   11   14   O3   C3   C3    119.939
   5   11   15   O3   C3   C3    119.969
   5   11   16   O3   C3   C3    174.367
  14   11   15   C3   C3   C3    120.092
  14   11   16   C3   C3   C3     54.428
  15   11   16   C3   C3   C3     65.664


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    7    179.974
   8    2    1    3    179.974
   8    2    1    7      0.026
   4    3    1    2      0.026
   4    3    1    7    179.974
   6    3    1    2    179.974
   6    3    1    7      0.026
  10    4    3    1    179.974
  10    4    3    6      0.026
  12    4    3    1      0.026
  12    4    3    6    179.974
  11    5    2    1    179.974
  11    5    2    8      0.026
   1    3    6    9      0.026
   4    3    6    9    179.974
   9    7    1    2    179.974
   9    7    1    3      0.026
  13    9    7    1    179.974
   6    9    7    1      0.026
  14   11    5    2    179.974
  15   11    5    2      0.026
  16   11    5    2    179.974
   7    9    6    3      0.026
  13    9    6    3    179.974


CHIRAL ATOMS
  13    9    6    3    179.974
  13    9    6    3    179.974