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Chemical ID: 6046913
Chemical ID:
6046913
Name [?]:
methyl 5-acetamido-4-hydroxy-2-methoxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylate
SMILES [?]:
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)OC)O
InChi [?]:
InChI=1/C13H23NO9/c1-6(16)14-9-7(17)4-13(22-3,12(20)21-2)23-11(9)10(19)8(18)5-15/h7-11,15,17-19H,4-5H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,20,22,7,13,2,6,12,5,11,10,17,8,4,14,3,23,15,16,18,19,21,9/rA:23cCCONCCCCOCCCCOOOCOOCOCO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s12;s11;s8;d17;s17;s19;s8;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23NO9 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 4.21887 |
Area: | 506.928 |
Solvation: | -8.45431 |
Coulombic: | -125.546 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 337.323 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 10 |
XLogP: | -2.9 |
LogP (Chemaxon): | -1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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