Molecule

ID:125204

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₁₀P₂
Molecular Mass
266.037142
Exact Mass
265.95926972
Charge
0
InChI
InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)
InChIKey
XOHUEYCVLUUEJJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(OP(=O)(O)O)COP(=O)(O)O
Isomeric Smiles
O=P(O)(OC(C(=O)O)COP(=O)(O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-12.35
LogD (pH = 5.5)
-8.28
Log P
-1.77
Rotatable Bonds
6
H Donor
5
H Acceptors
8
Lipinski's Rule of Five
true
Acid pKa
0.48
Polar Surface Area
170.82
Polarizability
17.91
Molar Refractivity
42.13
LOG S
2.11
Data Source
Names and Identifiers
Registration numbers
Properties
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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