Mrv0541 02231219012D          

 15 15  0  0  1  0            999 V2000
    1.5946    0.7217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7746    0.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    0.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5946    1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5946   -0.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642    0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642   -0.5252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6575    0.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -0.9447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7746   -0.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679    0.3061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3679   -0.5252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6612   -1.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  1  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  6  0  0  0
 11 14  1  6  0  0  0
 12 15  1  6  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0001265

> <DATABASE_NAME>
bmdb

> <SMILES>
C[C@@H]1OC(OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6?/m0/s1

> <INCHI_KEY>
PTVXQARCLQPGIR-DHVFOXMCSA-N

> <FORMULA>
C6H13O8P

> <MOLECULAR_WEIGHT>
244.1364

> <EXACT_MASS>
244.034803904

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
19.70552150574226

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.53

> <JCHEM_LOGP>
-2.0091952826666666

> <ALOGPS_LOGS>
-0.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.219259191809283

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1557140415655103

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612214176029089

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
45.252599999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.42e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fuculose 1-phosphate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0001265

> <GENERIC_NAME>
Fucose 1-phosphate

> <SYNONYMS>
(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxyphosphonate; (3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxyphosphonic acid; 6-deoxy-L-Galactopyranose 1-(dihydrogen phosphate); 6-Deoxy-L-galactose 1-phosphate; b-L-fucose 1-phosphate; b-L-fucose-1-phosphate; beta-L-fucose 1-phosphate; beta-L-fucose-1-phosphate; Fuculose 1-phosphate; L-Fucose 1-phosphate; L-Fucose 1-phosphic acid

$$$$