RB0
D-ribitol
Created: | 2012-05-17 |
Last modified: | 2012-05-17 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 3 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | D-ribitol |
Systematic Name (OpenEye OEToolkits) | (2S,4R)-pentane-1,2,3,4,5-pentol |
Formula | C5 H12 O5 |
Molecular Weight | 152.146 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(CO)C(O)C(O)CO |
SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH](O)CO |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C(CO)O)O)O)O |
Canonical SMILES | CACTVS | 3.370 | OC[C@H](O)[C@H](O)[C@H](O)CO |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C([C@H](C([C@H](CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5- |
InChIKey | InChI | 1.03 | HEBKCHPVOIAQTA-ZXFHETKHSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank ID | DB14704 |
---|---|
Name | Ribitol |
Groups | experimental |
Synonyms |
|
Categories |
|
CAS number | 488-81-3 |
Related Resource References
Resource Name | Reference |
---|---|
CCDC/CSD | RIBTOL01, XYLTOL03, XYLTOL04, XYLTOL, XYLTOL01, RIBTOL, XYLTOL20, XYLTOL19, XYLTOL28, ARABOL01, INOYOC, XYLTOL21, XYLTOL22, XYLTOL23, XYLTOL27, XYLTOL18, XYLTOL16, XYLTOL25, XYLTOL09, XYLTOL26, XYLTOL08, XYLTOL07, XYLTOL29, XYLTOL24, XYLTOL14, XYLTOL17, XYLTOL05, XYLTOL06, XYLTOL10, XYLTOL11, ENIBAH, XYLTOL13, XYLTOL12, XYLTOL15, XYLTOL36, XYLTOL37, XYLTOL35, XYLTOL40, XYLTOL30, XYLTOL41, XYLTOL39, XYLTOL32, XYLTOL31, XYLTOL34, XYLTOL42, XYLTOL33 |
COD | 2103961, 2019352, 2300678, 2311089, 2108773, 2108772, 2108774, 2108775, 2108776, 2108778, 2108777, 2108779, 2108780, 2108781, 2108782, 2022044 |