ChemDB: Chemical Search
Download
Chemical ID: 5248699
Chemical ID:
5248699
Name [?]:
2-(bromomethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
COC1C(C(C(C(O1)CBr)O)O)O
InChi [?]:
InChI=1/C7H13BrO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,7,6,5,4,3,10,11,12,13,2,8/rA:13cCOCCCCCOCBrOOO/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s6;s5;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13BrO5 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 2.56118 |
Area: | 353.503 |
Solvation: | -6.27639 |
Coulombic: | -66.611 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.079 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.44 |
LogP (Chemaxon): | -0.27 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|