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Chemical ID: 6047619
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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