Basic information
- CAS
141754-58-7- Standard SMILES
C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H]2CCC(=O)O2)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C- InChIKey
QLDOXRUFJHMOHG-GKLXYTNZSA-N- Molecular formula
- C26H41NO10
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.2730465
Names & identifiers
- Preferred name
- (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2R)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
- IUPAC
- (2S)-N-[(4S,4aS,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[[(2R)-5-oxooxolan-2-yl]methyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
Names & synonyms
SCHEMBL1230688
Database identifiers
- CAS
141754-58-7- PubChem CID
- 10346830
- DTXSID
DTXSID401044093- Nikkaji
- J479.586E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 879
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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