Basic information
- CAS
478-05-7- Standard SMILES
COc1c(C)cc(C=O)c(C=O)c1C(=O)O- InChIKey
XQPWNPFGKKJSPW-UHFFFAOYSA-N- Molecular formula
- C11H10O5
- Average molar mass
- 222.19 g/mol
- Monoisotopic mass
- 222.05282342
Overview
Gladiolic acid has been reported in Phomopsis with data available.
Names & identifiers
- Preferred name
- Gladiolic acid
- IUPAC
- 2,3-diformyl-6-methoxy-5-methylbenzoic acid
- English name
- Gladiolic acid
- Molecular formula
- C11H10O5
- Molecular weight
- 222.19
Names & synonyms
Gladiolic acid2,3-diformyl-6-methoxy-5-methylbenzoic acid478-05-74-Methoxy-5-methyl-o-phthalaldehyde-3-carboxylic acidNSC-9347025R76754PGDTXSID90197276Benzoic acid, 2,3-diformyl-6-methoxy-5-methylRefChem:143289DTXCID00119767Isogladiolic acidUNII-25R76754PG
Show more names
puberulonic acid4-methoxy-5-methyl-o-phthaldehydeBenzoic acid, 2,3-diformyl-6-methoxy-5-methyl-
NSC 93470GLADIOLIC ACID [MI]orb3023219SCHEMBL11061567NSC93470HY-N14524o-Anisic acid,6-diformyl-3-methyl-TN9838
Database identifiers
- CAS
478-05-7- PubChem CID
- 96916
- DTXSID
DTXSID90197276- UNII
- 25R76754PG
- Nikkaji
- J12.602K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 160 ° · 160°
- pka
- 4.4 · 4.4(at 25℃)
- FDA UNII
- 25 R76754PG · 25R76754PG
Chemistry & industry
Suppliers4 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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