Molecule

ID:2320

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅O₈P
Molecular Mass
270.173661
Exact Mass
270.05045407
Charge
0
InChI
InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6-,8-/m0/s1
InChIKey
BKLICLLAHMTUPK-TYQACLPBSA-N
Canonic Smiles
O[C@H]1[C@H](CP(=O)(O)O)C[C@@](C[C@@H]1O)(O)C(=O)O
Isomeric Smiles
O[C@H]1C[C@@](O)(C[C@@H](CP(=O)(O)O)[C@@H]1O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7972234
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-7.459197
LogD (pH = 7.4)
-9.051245
Log P
-3.3548493
Molar Refractivity
53.7293
Polarizability
21.814016
Polar Surface Area
155.52
Rotatable Bonds
3
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.73
LOG S
-0.81
Solubility (Water)
4.21e+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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