Molecule

ID:132140

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₆O₇P
Molecular Mass
364.251741
Exact Mass
364.08963354
Charge
0
InChI
InChI=1S/C10H14N5O7P.H3N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);1H3
InChIKey
UCABMSWTDGJNIQ-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(CC1OP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O.N
Isomeric Smiles
c1nc2c(n1C1CC(C(O1)CO)OP(=O)(O)O)[nH]c(nc2=O)N.N
Calculated Properties
JChem
Acid pKa
1.0719253
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
-3.8797112
LogD (pH = 7.4)
-5.158458
Log P
-2.8780344
Molar Refractivity
73.5499
Polarizability
28.379108
Polar Surface Area
181.52
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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