Basic information
- CAS
41249-75-6- Standard SMILES
CC(=O)OCC1OC(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
CGWLEHHVLHZSGZ-UHFFFAOYSA-N- Molecular formula
- C29H29N3O9S
- Average molar mass
- 595.6 g/mol
- Monoisotopic mass
- 595.16245068
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate
Names & synonyms
41249-75-6NSC268398[3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetateDTXSID90313272NSC-2683985,6-Diphenyl-1,2,4-triazin-3-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
Database identifiers
- CAS
41249-75-6- PubChem CID
- 320491
- DTXSID
DTXSID90313272
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 943
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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