Sulfuric acid--4-carbamimidamidobutyl 3,4,5-trimethoxybenzoate (1/2)
Basic information
- CAS
75231-23-1- Standard SMILES
COc1cc(C(=O)OCCCC[NH+]=C(N)N)cc(OC)c1OC.COc1cc(C(=O)OCCCC[NH+]=C(N)N)cc(OC)c1OC.O=S(=O)([O-])[O-]- InChIKey
JDLCXQSARZXHHD-UHFFFAOYSA-N- Molecular formula
- C30H48N6O14S
- Average molar mass
- 748.8 g/mol
- Monoisotopic mass
- 748.2949214
Names & identifiers
- Preferred name
- Sulfuric acid--4-carbamimidamidobutyl 3,4,5-trimethoxybenzoate (1/2)
- IUPAC
- bis(diaminomethylidene-[4-(3,4,5-trimethoxybenzoyl)oxybutyl]azanium);sulfate
Names & synonyms
75231-23-1DTXSID70996704Sulfuric acid--4-carbamimidamidobutyl 3,4,5-trimethoxybenzoate (1/2)RefChem:1099269DTXCID7014237173,4,5-Trimethoxybenzoic acid 4-guanidinobutyl ester sulfate (2:1)BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-GUANIDINOBUTYL ESTER, SULFATE (2:1)
Database identifiers
- CAS
75231-23-1- PubChem CID
- 53209
Properties
Computed structural properties
- Topological polar surface area
- 329 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 20
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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