Primary record
tunicamycin
- CAS
- 11089-65-9
- PubChem CID
- 25465
- SMILES
- CC(C)CC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CC([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O
- Molecular Formula
- C30H46N4O16
- Molecular Weight
- 718.71
- Exact Mass
- 718.2909
- InChI
- InChI=1S/C30H46N4O16/c1-11(2)5-4-6-16(38)32-19-23(43)20(40)14(47-29(19)50-28-18(31-12(3)36)22(42)21(41)15(10-35)48-28)9-13(37)26-24(44)25(45)27(49-26)34-8-7-17(39)33-30(34)46/h4,6-8,11,13-15,18-29,35,37,40-45H,5,9-10H2,1-3H3,(H,31,36)(H,32,38)(H,33,39,46)/t13?,14-,15-,18-,19-,20+,21-,22-,23-,24+,25-,26-,27-,28-,29+/m1/s1
- InChIKey
- ZHSGGJXRNHWHRS-JKHWFIQLSA-N
- LogP
- -5.5991
- TPSA
- 311.82
Names and synonyms
- tunicamycin
- 11089-65-9