Chemical ID: 3968323

Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Chemical ID:
3968323
Name [?]:
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid
SMILES [?]:
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
InChi [?]:
InChI=1/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,14,8,2,5,4,3,7,15,16,11,12,13,9,10/E:(12,13,14)/rA:16nCCCCCCNCOPOOOCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s10;s4;d14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10NO6P
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.19831
Area:405.956
Solvation:-5.9506
Coulombic:-77.401
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.142
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-1.24
LogP (Chemaxon):-2.78

Name Annotations

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Descriptor Annotations

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