Mrv1652309042000242D          

 14 14  0  0  0  0            999 V2000
10000.348810000.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.063610000.1557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.776310000.5677    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10001.366410001.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.493210000.1557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.190410001.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8423 9998.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0546 9998.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.516710000.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.965610000.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.298210000.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.5531 9999.3804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.3781 9999.3804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.633010000.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14  1  1  6  0  0  0
 13  7  1  1  0  0  0
 12  8  1  1  0  0  0
 11  9  1  1  0  0  0
M  END
> <DATABASE_ID>
YMDB00650

> <DATABASE_NAME>
YMDB

> <SMILES>
O[C@H]1O[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-AIHAYLRMSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
18.250781635212405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5S)-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>
6.248502666590344

> <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>
α-D-ribose 5-phosphate

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00650

> <GENERIC_NAME>
alpha-D-ribose 5-phosphate

> <SYNONYMS>
5-O-phosphono-alpha-D-ribofuranose; alpha-D-ribose 5-phosphate; arabinose-5-P; arabinose-5P; D-Arabinose 5-phosphate; d-ribose 5-phosphate; d-ribose-5-phosphate; ribose 5-phosphate

$$$$