Molecule

ID:2580

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₉P
Molecular Mass
260.135781
Exact Mass
260.02971863
Charge
0
InChI
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1
InChIKey
HXXFSFRBOHSIMQ-QTVWNMPRSA-N
Canonic Smiles
OC[C@H]1OC(OP(=O)(O)O)[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
O1C([C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)OP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.61
LogD (pH = 5.5)
-5.50
Log P
-3.06
Rotatable Bonds
3
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
1.16
Polar Surface Area
156.91
Polarizability
20.98
Molar Refractivity
46.80
LOG S
1.46
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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