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Basic information
- CAS
72067-15-3- Standard SMILES
COC(=O)[C@H]1O[C@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OC)[C@H]3O[C@@]2(O)[C@@H](OC(=O)C(C)C)[C@@H]1O- InChIKey
DIGRAKJXHSMXBZ-ODQFKESJSA-N- Molecular formula
- C22H29N5O10
- Average molar mass
- 523.499 g/mol
- Monoisotopic mass
- 523.19144213
Names & identifiers
- Preferred name
- 9-[6,10-Anhydro-5-deoxy-11-methyl-2-O-methyl-8-O-(2-methylpropanoyl)undec-7-ulopyranosefuranosyluronosyl]-9H-purin-6-amine
- IUPAC
- 9-[6,10-Anhydro-5-deoxy-11-methyl-2-O-methyl-8-O-(2-methylpropanoyl)-beta-D-arabino-beta-D-gluco-undec-7-ulopyranosefuranosyluronosyl]-9H-purin-6-amine
- English name
- (11R)-11-C-(6-Amino-9H-purin-9-yl)-2,6:8,11-dianhydro-10-O-methyl-4-O-(1-oxo-2-methylpropyl)-7-deoxy-α-L-ido-D-lyxo-5-undecoulo-5,9-pyranosonic acid methyl ester
- Molecular formula
- C22H29N5O10
- Molecular weight
- 523.5
Names & synonyms
Herbicidin E(11R)-11-C-(6-Amino-9H-purin-9-yl)-2,6:8,11-dianhydro-10-O-methyl-4-O-(1-oxo-2-methylpropyl)-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-2-O-methyl-, methyl ester, 8-(2-methylpropanoate), (7R)-
Database identifiers
- CAS
72067-15-3- PubChem CID
- 156261
- DTXSID
DTXSID60992795
Properties
Physicochemical properties
- Boiling point
- 739.6 · 739.6±70.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.70(Predicted)
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
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Compound notes
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