Basic information
- CAS
114559-01-2- Standard SMILES
C[C@@H](OP(=O)(O)O)[C@H](NC(=O)CCCCCCBr)C(=O)O- InChIKey
FEHSUZJYJHJVAY-SCZZXKLOSA-N- Molecular formula
- C11H21BrNO7P
- Average molar mass
- 390.16 g/mol
- Monoisotopic mass
- 389.0239
Overview
substrate analog of 7-mercaptoheptanoylthreonine phosphate
Names & identifiers
- Preferred name
- 7-Bromoheptanoylthreonine phosphate
- IUPAC
- (2S,3R)-2-(7-bromoheptanoylamino)-3-phosphonooxybutanoic acid
- English name
- 7-bromoheptanoylthreonine phosphate
- Molecular formula
- C11H21BrNO7P
- Molecular weight
- 390.16
Names & synonyms
7-Bromoheptanoylthreonine phosphate7-Bhtp114559-01-2RefChem:105892DTXSID10921419N-(7-Bromo-1-hydroxyheptylidene)-O-phosphonothreonineN-(7-Bromo-1-hydroxyheptylidene)-O-phosphono-L-threonineThreonine, N-(7-bromo-1-oxoheptyl)-, dihydrogen phosphate (ester) (9CI)
Database identifiers
- CAS
114559-01-2- PubChem CID
- 195091
- DTXSID
DTXSID10921419
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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