Molecule

ID:127482

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₁₂P₂
Molecular Mass
340.115682
Exact Mass
339.99604915
Charge
0
InChI
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
InChIKey
RNBGYGVWRKECFJ-ZXXMMSQZSA-N
Canonic Smiles
O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@]([C@H]1O)(O)COP(=O)(O)O
Isomeric Smiles
O=P(OC[C@]1(O)O[C@@H]([C@@H](O)[C@@H]1O)COP(=O)(O)O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-10.12
LogD (pH = 5.5)
-7.90
Log P
-3.01
Rotatable Bonds
6
H Donor
7
H Acceptors
10
Lipinski's Rule of Five
false
Acid pKa
0.89
Polar Surface Area
203.44
Polarizability
25.60
Molar Refractivity
58.11
LOG S
2.04
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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