Molecule

ID:133481

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆NO₉P
Molecular Mass
277.166301
Exact Mass
277.05626773
Charge
0
InChI
InChI=1S/C6H13O9P.H3N/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14;/h1-11H,(H2,12,13,14);1H3/t1-,2-,3-,4+,5-,6-;/m0./s1
InChIKey
REMBBOONLXQKLK-SUBVTSALSA-N
Canonic Smiles
O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H]([C@@H]([C@@H]1O)O)O.N
Isomeric Smiles
[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)O.N
Calculated Properties
JChem
Acid pKa
1.1625723
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
-6.356896
LogD (pH = 7.4)
-7.4856567
Log P
-3.9055758
Molar Refractivity
46.6479
Polarizability
19.732754
Polar Surface Area
167.91
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation