Untitled Document-2
  Mrv0541 03121315212D          

 20 20  0  0  0  0            999 V2000
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    0.7005    0.2814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB01058

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1

> <INCHI_KEY>
RNBGYGVWRKECFJ-ZXXMMSQZSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
25.28187234820296

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-3.0051313806666666

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4935700215596843

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8894221949103747

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686727898823656

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
58.10659999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fructose 1,6-bisphosphate

> <JCHEM_VEBER_RULE>
0

> <HMDB_ID>
HMDB01058

> <GENERIC_NAME>
Fructose 1,6-bisphosphate

> <SYNONYMS>
D-Fructose 1,6-biphosphate; D-Fructose 1,6-bis(dihydrogen phosphate); D-Fructose 1,6-bisphosphate; D-Fructose 1,6-diphosphate; D-Fructose-1,6-bisphosphate; D-Fructose-1,6-diphosphate; Diphosphofructose; Esafosfan; Esafosfina; FDP; Fosfructose; Fructose 1,6-bis; Fructose 1,6-bisphosphate; Fructose 1,6-diphosphate; Harden-Young ester

$$$$
