Molecule

ID:2132

General Information
Structure
Molecular Formula
C₆H₁₄O₁₀P₂
Molecular Mass
308.116882
Exact Mass
308.00621991
Charge
0
InChI
InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m0/s1
InChIKey
YBOWGOLYQKBCFB-BXKVDMCESA-N
Canonic Smiles
O[C@H]1[C@@H](O[C@H]([C@@H]1O)COP(=O)(O)O)CP(=O)(O)O
Isomeric Smiles
O[C@@H]1[C@@H](O)[C@H](CP(=O)(O)O)O[C@H]1COP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.1191533
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-8.191048
LogD (pH = 7.4)
-9.342198
Log P
-3.5293362
Molar Refractivity
54.8069
Polarizability
22.90985
Polar Surface Area
173.98
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-1.64
LOG S
-1.15
Solubility (Water)
2.18e+01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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