A1IR6
Summary
| Name: | (Ribitol-phosphate)4-(CH2)6-NH2 |
| Synonyms: | [(2S,3S,4R)-5-[[(2S,3R,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
| Formula: | C26 H59 N O29 P4 |
| Formal charge: | 0 |
| Formula weight: | 973.631 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{R})-5-[[(2~{S},3~{R},4~{R})-5-[[(2~{S},3~{R},4~{R})-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H59NO29P4/c27-5-3-1-2-4-6-49-57(41,42)50-9-17(31)24(38)18(32)10-53-59(45,46)54-13-21(35)26(40)22(36)14-56-60(47,48)55-12-20(34)25(39)19(33)11-52-58(43,44)51-8-16(30)23(37)15(29)7-28/h15-26,28-40H,1-14,27H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25-,26+/m0/s1 |
| InChIKey | InChI | 1.06 | RCKXLZVGBDVNAH-XRRZROOQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCCO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | NCCCCCCO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCCOP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCCOP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O)CCN |
