Chemical ID: 6047619

c1cn(cn1)CC(O)(P(=O)(O)O[Na])P(=O)(O)O[Na]
Chemical ID:
6047619
Name [?]:
[hydroxy-[1-hydroxy-1-(hydroxy-sodiooxy-phosphoryl)-2-imidazol-1-yl-ethyl]-phosphoryl]oxysodium
SMILES [?]:
c1cn(cn1)CC(O)(P(=O)(O)O[Na])P(=O)(O)O[Na]
InChi [?]:
InChI=1/C5H10N2O7P2.2Na/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;/q;2*+1/p-2
InChi Info:
AuxInfo=1/1/N:1,2,6,4,7,5,3,8,10,11,12,15,16,17,9,14;13;18/E:(9,10,11,12,13,14)(15,16);;/gE:(1,2);;/rA:18cCCNCNCCOPOOONaPOOONa/rB:d1;s2;s3;s1d4;s3;s6;s7;s7;d9;s9;s9;s12;s7;d14;s14;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H8N2Na2O7P2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:316.053
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-3.04
LogP (Chemaxon):-4.15

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