Basic information
- CAS
2367016-05-3- Standard SMILES
CCCCCCCCOc1ccc(CSC2C[C@H](O)[C@@H](CO)S2)cc1- InChIKey
NTIBQWRHIWWJRI-ABZYKWASSA-N- Molecular formula
- C20H32O3S2
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.17928723
Names & identifiers
- Preferred name
- (2R,3S)-2-(hydroxymethyl)-5-[(4-octoxyphenyl)methylsulfanyl]thiolan-3-ol
- IUPAC
- (2R,3S)-2-(hydroxymethyl)-5-[(4-octoxyphenyl)methylsulfanyl]thiolan-3-ol
- English name
- D-erythro-Pentofuranoside, [4-(octyloxy)phenyl]methyl 2-deoxy-1,4-dithio-
- Molecular formula
- C20H32O3S2
- Molecular weight
- 384.6
Names & synonyms
SCHEMBL21224667D-erythro-PentofuranosideD-erythro-Pentofuranoside, [4-(octyloxy)phenyl]methyl 2-deoxy-1,4-dithio-
Database identifiers
- CAS
2367016-05-3- PubChem CID
- 139371094
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 552.8 · 552.8±50.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 13.79 · 13.79±0.60(Predicted)
Chemistry & industry
Suppliers5 total
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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