Chemical ID: 6693424

CC(=C)CCOP(=O)(O)OP(=O)(O)O
Chemical ID:
6693424
Name [?]:
(hydroxy-(3-methylbut-3-enoxy)phosphoryl)oxyphosphonic acid
SMILES [?]:
CC(=C)CCOP(=O)(O)OP(=O)(O)O
InChi [?]:
InChI=1/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChi Info:
AuxInfo=1/1/N:3,1,4,5,2,12,13,14,8,9,6,10,11,7/E:(6,7,8)(9,10)/rA:14cCCCCCOPOOOPOOO/rB:s1;d2;s2;s4;s5;s6;d7;s7;s7;s10;d11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H12O7P2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.79923
Area:397.313
Solvation:-4.1336
Coulombic:-89.4167
Bond Count [?]
All:13
Single:10
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.092
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-1.91
LogP (Chemaxon):-0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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