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Chemical ID: 5612093
Chemical ID:
5612093
Name [?]:
[5-acetamido-3-acetoxy-2-(acetoxymethyl)-6-(2-naphthylmethoxy)tetrahydropyran-4-yl] acetate
SMILES [?]:
CC(=O)NC1C(C(C(OC1OCc2ccc3ccccc3c2)COC(=O)C)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C25H29NO9/c1-14(27)26-22-24(34-17(4)30)23(33-16(3)29)21(13-31-15(2)28)35-25(22)32-12-18-9-10-19-7-5-6-8-20(19)11-18/h5-11,21-25H,12-13H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,27,31,35,18,19,17,20,14,15,22,12,23,2,25,29,33,13,16,21,8,5,7,6,10,4,3,26,30,34,24,11,28,32,9/rA:35cCCONCCCCOCOCCCCCCCCCCCCOCOCOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s8;s23;s24;d25;s25;s7;s28;d29;s29;s6;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO9 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.94383 |
Area: | 738.76 |
Solvation: | -8.52518 |
Coulombic: | -90.3011 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 487.499 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 10 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.16 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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