Mrv0541 02231218282D          

  8  8  0  0  1  0            999 V2000
   15.6628  -15.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5601  -16.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7655  -16.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2108  -15.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0753  -16.2907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2502  -16.2907    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3302  -15.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9955  -15.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  5  2  1  1  0  0  0
  6  3  1  1  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0000349

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1

> <INCHI_KEY>
SGMJBNSHAZVGMC-PWNYCUMCSA-N

> <FORMULA>
C4H6O4

> <MOLECULAR_WEIGHT>
118.088

> <EXACT_MASS>
118.02660868

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
9.837678905951314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R)-3,4-dihydroxyoxolan-2-one

> <ALOGPS_LOGP>
-1.72

> <JCHEM_LOGP>
-1.484603302

> <ALOGPS_LOGS>
1.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.000796211703818

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.66159827209987

> <JCHEM_PKA_STRONGEST_BASIC>
-3.608833819644188

> <JCHEM_POLAR_SURFACE_AREA>
66.75999999999999

> <JCHEM_REFRACTIVITY>
22.8538

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
erythrono-1,4-lactone

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0000349

> <GENERIC_NAME>
Erythrono-1,4-lactone

> <SYNONYMS>
(3R,4R)-dihydro-3,4-dihydroxy-Threono-1,4-lactone 2(3H)-Furanone; (3R,4R)-rel-dihydro-3,4-dihydroxy-2(3H)-Furanone; 3,4-Dihydroxydihydro-2(3H)-furanone; D-Erythronic acid gamma-lactone; delta-Erythronic acid gamma-lactone; dihydro-3,4-dihydroxy-cis-2(3H)-Furanone; Erythronic acid g-lactone; Erythrono-1,4-lactone

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