Molecule

ID:1839

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₁₀P
Molecular Mass
276.135181
Exact Mass
276.02463325
Charge
0
InChI
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4+,5-/m1/s1
InChIKey
BIRSGZKFKXLSJQ-MGCNEYSASA-N
Canonic Smiles
O[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)COP(=O)(O)O
Isomeric Smiles
O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.4859276
H Acceptors
9
H Donor
7
LogD (pH = 5.5)
-7.9830685
LogD (pH = 7.4)
-10.147999
Log P
-3.5333104
Molar Refractivity
49.1439
Polarizability
20.478642
Polar Surface Area
184.98
Rotatable Bonds
7
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.27
LOG S
-1.12
Solubility (Water)
2.07e+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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