Molecule

ID:1507

General Information
Structure
MolImage
Molecular Formula
C₃H₇O₆P
Molecular Mass
170.057841
Exact Mass
169.99802457
Charge
0
InChI
InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
InChIKey
CSZRNWHGZPKNKY-UWTATZPHSA-N
Canonic Smiles
OC(=O)[C@H](OP(=O)(O)O)C
Isomeric Smiles
C[C@@H](OP(=O)(O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.1274173
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.8206587
LogD (pH = 7.4)
-7.348529
Log P
-0.59539557
Molar Refractivity
29.7127
Polarizability
12.204591
Polar Surface Area
104.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.6
LOG S
-0.91
Solubility (Water)
2.10e+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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