Chemical ID: 6917772

CC(=O)NC1C(CC(OC1C(C(COP(=O)(O)O)O)O)(C(=O)O)O)O
Chemical ID:
6917772
Name [?]:
5-acetamido-6-(1,2-dihydroxy-3-phosphonooxy-propyl)-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
SMILES [?]:
CC(=O)NC1C(CC(OC1C(C(COP(=O)(O)O)O)O)(C(=O)O)O)O
InChi [?]:
InChI=1/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,7,13,2,6,12,5,11,10,21,8,4,3,25,19,20,22,23,24,16,17,18,14,9,15/E:(17,18)(20,21,22)/rA:25cCCONCCCCOCCCCOPOOOOOCOOOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s14;d15;s15;s15;s12;s11;s8;d21;s21;s8;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H20NO12P
All Atoms:45
Heavy Atoms:25
Chiral Atoms:6
ZAP Information [?]
Total:3.84276
Area:553.134
Solvation:-9.98558
Coulombic:-175.174
Bond Count [?]
All:25
Single:22
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.25
H-Bond Donors:8
H-Bond Acceptors:13
XLogP:-4.97
LogP (Chemaxon):-2.83

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