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Chemical ID: 4560105
Chemical ID:
4560105
Name [?]:
N-(1-formyl-2,3,4,5-tetrahydroxy-pentyl)acetamide
SMILES [?]:
CC(=O)NC(C=O)C(C(C(CO)O)O)O
InChi [?]:
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)
InChi Info:
AuxInfo=1/1/N:1,6,11,2,5,10,8,9,4,7,12,3,13,15,14/rA:15cCCONCCOCCCCOOOO/rB:s1;d2;s2;s4;s5;d6;s5;s8;s9;s10;s11;s10;s9;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15NO6 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 1.35479 |
Area: | 396.544 |
Solvation: | -8.55882 |
Coulombic: | -90.2387 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 221.208 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -3.12 |
LogP (Chemaxon): | -3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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