
  Mrv0541 02231219122D          

 14 14  0  0  1  0            999 V2000
   13.5797   -6.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3643   -6.9453    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6193   -7.7300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4443   -7.7300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6992   -6.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1344   -8.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9292   -8.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4838   -6.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3686   -6.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8785   -4.8439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8390   -5.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4082   -5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0318   -6.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6236   -5.6285    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000431

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1

> <INCHI_KEY>
KTVPXOYAKDPRHY-SOOFDHNKSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
18.347747478376483

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.07

> <JCHEM_LOGP>
-2.425770307333333

> <ALOGPS_LOGS>
-0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248502666590342

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2226866612133929

> <JCHEM_PKA_STRONGEST_BASIC>
-3.680084519580305

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
40.8338

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.36e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-ribofuranose 5-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
