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Chemical ID: 6917772
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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