Mrv0541 02231219112D          

 21 20  0  0  0  0            999 V2000
   14.6145  -18.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3289  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0434  -18.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7579  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4724  -18.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1868  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9013  -18.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6158  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3303  -18.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0448  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7592  -18.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0434  -18.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6158  -16.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4737  -17.7228    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   23.1882  -18.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4737  -16.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1882  -17.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9026  -17.7228    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   24.6172  -18.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9026  -16.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6172  -17.3103    0.0000 O   0  0  0  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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0001513

> <DATABASE_NAME>
bmdb

> <SMILES>
CC\C(C)=C\CCCC(C)CCOP(O)(=O)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H26O7P2/c1-4-11(2)7-5-6-8-12(3)9-10-18-21(16,17)19-20(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H,16,17)(H2,13,14,15)/b11-7+

> <INCHI_KEY>
FFBTVOMODCZDNV-YRNVUSSQSA-N

> <FORMULA>
C12H26O7P2

> <MOLECULAR_WEIGHT>
344.2782

> <EXACT_MASS>
344.11537621

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
33.283053103164235

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[({[(7E)-3,8-dimethyldec-7-en-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
1.95

> <JCHEM_LOGP>
3.0958281370000003

> <ALOGPS_LOGS>
-2.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.201199523895234

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7793143355071521

> <JCHEM_POLAR_SURFACE_AREA>
113.28999999999999

> <JCHEM_REFRACTIVITY>
81.43389999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[(7E)-3,8-dimethyldec-7-en-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0001513

> <GENERIC_NAME>
Dolichyl diphosphate

> <SYNONYMS>
Dolichyl diphosphate; Dolichyl diphosphic acid

$$$$