Molecule

ID:129276

General Information
Structure
MolImage
Molecular Formula
C₅H₉O₈P--
Molecular Mass
228.093921
Exact Mass
228.00350388
Charge
-2
InChI
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/p-2/t3-,4+,5-/m0/s1
InChIKey
PPQRONHOSHZGFQ-LMVFSUKVSA-L
Canonic Smiles
O=C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
Isomeric Smiles
[O-]P(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)C=O
Calculated Properties
JChem
Acid pKa
1.4910102
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-5.467744
LogD (pH = 7.4)
-6.3607407
Log P
-3.0615916
Molar Refractivity
40.0126
Polarizability
17.13357
Polar Surface Area
150.18
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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