Molecule

ID:102288

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₃O₃₄P₇
Molecular Mass
974.218447
Exact Mass
973.90165455
Charge
0
InChI
InChI=1S/C15H33O34P7/c16-7-4(41-13(10(7)19)44-53(31,32)47-50(22,23)24)1-38-56(37,39-2-5-8(17)11(20)14(42-5)45-54(33,34)48-51(25,26)27)40-3-6-9(18)12(21)15(43-6)46-55(35,36)49-52(28,29)30/h4-21H,1-3H2,(H,31,32)(H,33,34)(H,35,36)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t4-,5-,6-,7-,8-,9-,10-,11-,12+,13-,14-,15+/m1/s1
InChIKey
FMWFXSLXEKUSHQ-AZEGKFRISA-N
Canonic Smiles
O[C@@H]1[C@@H](COP(=O)(OC[C@H]2O[C@@H]([C@@H]([C@@H]2O)O)OP(=O)(OP(=O)(O)O)O)OC[C@H]2O[C@@H]([C@@H]([C@@H]2O)O)OP(=O)(OP(=O)(O)O)O)O[C@H]([C@H]1O)OP(=O)(OP(=O)(O)O)O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(OC[C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)O)O)O)OC[C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)O)O)O
Calculated Properties
JChem
Acid pKa
1.2260997
H Acceptors
25
H Donor
15
LogD (pH = 5.5)
-20.19543
LogD (pH = 7.4)
-21.712141
Log P
-6.8731966
Molar Refractivity
158.435
Polarizability
68.61882
Polar Surface Area
533.7
Rotatable Bonds
21
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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