RP6
Summary
Name: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid |
Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid |
Formula: | C14 H21 N O8 |
Formal charge: | 0 |
Formula weight: | 331.318 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid |
OpenEye OEToolkits | 1.7.0 | (2R,3R,4S)-3-acetamido-4-hydroxy-5-prop-2-enyl-2-[(2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@@H]1[C@@H](O)C(=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)CC=C |
SMILES | CACTVS | 3.370 | CC(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)CC=C)O |
InChI | InChI | 1.03 | InChI=1S/C14H21NO8/c1-3-4-7-10(19)9(15-6(2)17)13(11(20)8(18)5-16)23-12(7)14(21)22/h3,8-11,13,16,18-20H,1,4-5H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1 |
InChIKey | InChI | 1.03 | OXBQHTTZDDRTNB-BZNQNGANSA-N |