Chemical ID: 6914502

CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O
Chemical ID:
6914502
Name [?]:
3-hydroxy-5-(hydroxy-phosphonooxy-phosphoryl)oxy-3-methyl-pentanoic acid
SMILES [?]:
CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O
InChi [?]:
InChI=1/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,15,2,16,17,18,11,12,13,7,8,5,9,10,6/E:(7,8)(10,11,12)(13,14)/rA:18cCCCCOPOOOPOOOCCOOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s9;d10;s10;s10;s2;s14;d15;s15;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14O10P2
All Atoms:32
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:4.37904
Area:455.54
Solvation:-7.00947
Coulombic:-128.38
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:308.117
H-Bond Donors:5
H-Bond Acceptors:10
XLogP:-3.31
LogP (Chemaxon):-2.12

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