Agrocinopin B
Basic information
- CAS
77193-03-4- Standard SMILES
O=C[C@H](OP(=O)(O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)CO- InChIKey
HELVVCIMDCGZJH-SPXMWDITSA-N- Molecular formula
- C11H21O13P
- Average molar mass
- 392.25 g/mol
- Monoisotopic mass
- 392.07197772
Names & identifiers
- Preferred name
- Agrocinopin B
- IUPAC
- [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
- English name
- agrocinopin B
- Molecular formula
- C11H21O13P
- Molecular weight
- 392.25
Names & synonyms
Agrocinopin B77193-03-4[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphateDTXSID50227942((3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl) ((2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl) hydrogen phosphateRefChem:110216DTXCID00150433(3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-oxohexyl (2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl hydrogen phosphateL-Arabinose, 2-(dihydrogen phosphate), 4-ester with D-fructose
Database identifiers
- CAS
77193-03-4- PubChem CID
- 196495
- DTXSID
DTXSID50227942
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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