XXM
Summary
| Name: | 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose |
| Synonyms: | alpha-D-apiose 3-C-(hydroxylmethyl)-alpha-D-erythrose; 3-C-(hydroxylmethyl)-D-erythrose; 3-C-(hydroxylmethyl)-erythrose; (2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol |
| Formula: | C5 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 150.13 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol |
| OpenEye OEToolkits | 2.0.4 | (2~{S},3~{R},4~{R})-4-(hydroxymethyl)oxolane-2,3,4-triol |
| GMML | 1.0 | DApia |
| GMML | 1.0 | a-D-erythrofuranose |
| GMML | 1.0 | Api |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC1(C(C(OC1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ASNHGEVAWNWCRQ-VAYJURFESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]1(O)CO[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(O)CO[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1[C@@]([C@H]([C@H](O1)O)O)(CO)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1C(C(C(O1)O)O)(CO)O |
