Basic information
- CAS
72067-14-2- Standard SMILES
COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O[C@]2(O)[C@@H](O)[C@@H]1O- InChIKey
OEWSVQOLWMAJBV-VJLOTIRWSA-N- Molecular formula
- C17H21N5O9
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.13392726
Overview
Herbicidin C has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- methyl (1R,3R,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
- IUPAC
- methyl (1R,3R,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
- English name
- (11R)-11-C-(6-Amino-9H-purin-9-yl)-2,6:8,11-dianhydro-7-deoxy-α-L-ido-D-lyxo-5-undecoulo-5,9-pyranosonic acid methyl ester
- Molecular formula
- C17H21N5O9
- Molecular weight
- 439.38
Names & synonyms
Herbicidin C(11R)-11-C-(6-Amino-9H-purin-9-yl)-2,6:8,11-dianhydro-7-deoxy-α-L-ido-D-lyxo-5-undecoulo-5,9-pyranosonic acid methyl esterD-arabino-α-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, methyl ester, (7S)-
Database identifiers
- CAS
72067-14-2- PubChem CID
- 102060437
- Nikkaji
- J342.421I
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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