Molecule

ID:3571

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁O₇P
Molecular Mass
214.110401
Exact Mass
214.02423932
Charge
0
InChI
InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4-,5+/m1/s1
InChIKey
CYZZKTRFOOKUMT-WDCZJNDASA-N
Canonic Smiles
O[C@@H]1CO[C@@H]([C@H]1O)COP(=O)(O)O
Isomeric Smiles
O[C@@H]1CO[C@H](COP(=O)(O)O)[C@H]1O
Calculated Properties
JChem
Acid pKa
1.2314408
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.5021124
LogD (pH = 7.4)
-5.586167
Log P
-2.0615463
Molar Refractivity
39.8039
Polarizability
16.539658
Polar Surface Area
116.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.13
LOG S
-0.74
Solubility (Water)
3.86e+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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