Molecule

ID:2804

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁O₈P
Molecular Mass
230.109801
Exact Mass
230.01915394
Charge
0
InChI
InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
InChIKey
YXJDFQJKERBOBM-TXICZTDVSA-N
Canonic Smiles
OC[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)OP(=O)(O)O
Isomeric Smiles
P(=O)(O[C@H]1O[C@@H]([C@@H](O)[C@H]1O)CO)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.98
LogD (pH = 5.5)
-4.87
Log P
-2.43
Rotatable Bonds
3
H Donor
5
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
1.16
Polar Surface Area
136.68
Polarizability
18.10
Molar Refractivity
40.83
LOG S
1.40
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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