Molecule

ID:1808

General Information
Structure
Molecular Formula
C₃₈H₇₅O₁₀P
Molecular Mass
722.969861
Exact Mass
722.50978523
Charge
0
InChI
InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36-/m0/s1
InChIKey
BIABMEZBCHDPBV-ZPGRZCPFSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(OC[C@H](CO)O)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
1.8907738
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
8.5852375
LogD (pH = 7.4)
8.560971
Log P
10.937052
Molar Refractivity
195.3089
Polarizability
78.623604
Polar Surface Area
148.82
Rotatable Bonds
40
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
7.8
LOG S
-6.71
Solubility (Water)
1.41e-04 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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