Molecule

ID:1454

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀O₇P₂
Molecular Mass
220.054822
Exact Mass
219.99017592
Charge
0
InChI
InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)
InChIKey
JCWMAIAFQQTSAX-UHFFFAOYSA-N
Canonic Smiles
CCCO[P@](=O)(OP(=O)(O)O)O
Isomeric Smiles
CCCO[P@@](=O)(O)OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.759369
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.5932307
LogD (pH = 7.4)
-5.2284355
Log P
-0.18461123
Molar Refractivity
39.2797
Polarizability
16.195168
Polar Surface Area
113.29
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.07
LOG S
-1.27
Solubility (Water)
1.19e+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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