Mrv0541 02241221012D          

 19 20  0  0  1  0            999 V2000
   -0.0862   -5.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -4.8058    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2528   -5.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301   -4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0635   -4.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -3.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624   -3.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394   -3.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595   -2.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351   -2.0602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5004   -1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407   -0.9495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9362   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -1.6699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9094   -2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010    0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674    0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023740

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)[C@@H]2CC[C@]1(C)[C@H](C2)OP(O)(=O)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7-,8+,10-/m1/s1

> <INCHI_KEY>
VZPAJODTZAAANV-KHQFGBGNSA-N

> <FORMULA>
C10H20O7P2

> <MOLECULAR_WEIGHT>
314.2091

> <EXACT_MASS>
314.068426018

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
39.28294698984695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{[hydroxy({[(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
1.05

> <JCHEM_LOGP>
1.4440933740000002

> <ALOGPS_LOGS>
-1.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.1852952626890882

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7679218145908817

> <JCHEM_POLAR_SURFACE_AREA>
113.29000000000002

> <JCHEM_REFRACTIVITY>
67.0601

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{hydroxy[(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]oxyphosphoryl}oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
(+)-Bornyl diphosphate

> <CAS>
64822-87-3

$$$$