methyl N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioate
Basic information
- CAS
6635-77-4- Standard SMILES
COC1OC2COC(c3ccccc3)OC2C(NC(=S)SC)C1O- InChIKey
LQTHFNOZDLYYLX-UHFFFAOYSA-N- Molecular formula
- C16H21NO5S2
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.08611512
Names & identifiers
- Preferred name
- methyl N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioate
- IUPAC
- methyl N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioate
Names & synonyms
6635-77-4NSC52401methyl N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioateDTXSID60398354NSC-52401Methyl 4,6-O-benzylidene-3-deoxy-3-{[(methylsulfanyl)carbonothioyl]amino}hexopyranoside
Database identifiers
- CAS
6635-77-4- PubChem CID
- 3978110
- DTXSID
DTXSID60398354
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
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Related reactions
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Compound notes
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