Molecule

ID:125523

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-SQOUGZDYSA-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=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-9.61
LogD (pH = 5.5)
-7.03
Log P
-3.53
Rotatable Bonds
7
H Donor
7
H Acceptors
9
Lipinski's Rule of Five
false
Acid pKa
1.49
Polar Surface Area
184.98
Polarizability
21.61
Molar Refractivity
49.14
LOG S
1.51
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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