Mrv1572004221603242D          

 19 21  0  0  1  0            999 V2000
    0.8838   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -2.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359   -0.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986    0.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  6  3  1  1  0  0  0
  7  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
  7 15  1  1  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
 17  7  1  0  0  0  0
  6 18  1  6  0  0  0
  7 19  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM016942

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@@]1(CO)CC[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12

> <INCHI_IDENTIFIER>
InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1

> <INCHI_KEY>
WVXRAFOPTSTNLL-NKWVEPMBSA-N

> <FORMULA>
C10H13N5O2

> <MOLECULAR_WEIGHT>
235.247

> <EXACT_MASS>
235.106924679

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
23.592637107873486

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S,5R)-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methanol

> <ALOGPS_LOGP>
-0.53

> <JCHEM_LOGP>
-0.48167304366666724

> <ALOGPS_LOGS>
-1.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.540207675644822

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.67270077901026

> <JCHEM_PKA_STRONGEST_BASIC>
5.001580153798123

> <JCHEM_POLAR_SURFACE_AREA>
99.08000000000001

> <JCHEM_REFRACTIVITY>
60.891

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.54e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine, 2',3'-dideoxy-

> <JCHEM_VEBER_RULE>
0

> <NAME>
2',3'-Dideoxyadenosine

> <CAS>
4097-22-7

$$$$