Basic information
- CAS
86402-44-0- Standard SMILES
CO[C@@H](CC=O)[C@H](OC(=O)CCC(=O)O)[C@H](C)O- InChIKey
HHRYJTQDOJCUMQ-DKCNOQQISA-N- Molecular formula
- C11H18O7
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.10525291
Overview
nitro sugar component of decilorubicin; structure in first source
Names & identifiers
- Preferred name
- 4-O-succinyl diginose
- IUPAC
- 4-[(2S,3R,4S)-2-hydroxy-4-methoxy-6-oxohexan-3-yl]oxy-4-oxobutanoic acid
- English name
- 4-O-succinyl diginose
- Molecular formula
- C11H18O7
- Molecular weight
- 262.25642
Names & synonyms
4-O-Succinyl diginose4-O-Succinyl-L-diginose86402-44-0DTXSID10235528L-Lyxo-hexose, 2,6-dideoxy-3-O-methyl-, 4-(hydrogen butanedioate)RefChem:100241DTXCID401580194-[(2S,3R,4S)-2-hydroxy-4-methoxy-6-oxohexan-3-yl]oxy-4-oxobutanoic acid4-O-(3-Carboxypropanoyl)-2,6-dideoxy-3-O-methyl-L-lyxo-hexose
Database identifiers
- CAS
86402-44-0- PubChem CID
- 196576
- DTXSID
DTXSID10235528
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…