Molecule

ID:82013

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₆P₂
Molecular Mass
312.236302
Exact Mass
312.08916168
Charge
0
InChI
InChI=1S/C11H22O6P2/c1-10(2)5-14-18(12,15-6-10)9-19(13)16-7-11(3,4)8-17-19/h5-9H2,1-4H3
InChIKey
SBBDXNPCMKYRSF-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COP(=O)(OC1)CP1(=O)OCC(CO1)(C)C
Isomeric Smiles
P1(=O)(CP2(=O)OCC(CO2)(C)C)OCC(CO1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.66674
LogD (pH = 7.4)
1.66674
Log P
1.66674
Molar Refractivity
69.1191
Polarizability
29.071102
Polar Surface Area
71.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
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References
Bioactivity
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