Molecule

ID:3808

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅O₉P
Molecular Mass
274.162361
Exact Mass
274.04536869
Charge
0
InChI
InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1
InChIKey
QZBAZODTRUGOQS-XUUWZHRGSA-N
Canonic Smiles
OC[C@H]1O[C@](C)(OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
C[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.1455151
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-5.2566485
LogD (pH = 7.4)
-6.372683
Log P
-2.8080425
Molar Refractivity
51.8181
Polarizability
21.566736
Polar Surface Area
156.91
Rotatable Bonds
3
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.08
LOG S
-0.94
Solubility (Water)
3.18e+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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