Nordopan glucoside
Basic information
- CAS
41622-07-5- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1N(CCCl)CCCl- InChIKey
MLKSOOLHODPMQD-BZNQNGANSA-N- Molecular formula
- C14H21Cl2N3O7
- Average molar mass
- 414.2 g/mol
- Monoisotopic mass
- 413.0756554
Overview
Russian drug; RN given refers to (beta-D)-isomer; structure
Names & identifiers
- Preferred name
- Nordopan glucoside
- IUPAC
- 5-[bis(2-chloroethyl)amino]-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
Names & synonyms
Nordopan glucoside41622-07-5DTXSID90194442N(1)-(beta-D-Glucopyranosyl)-5-(bis-(2-chloroethyl)amino)uracilRefChem:166594DTXCID001169332,4(1H,3H)-Pyrimidinedione, 5-(bis(2-chloroethyl)amino)-1-beta-D-glucopyranosyl-5-[bis(2-chloroethyl)amino]-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione5-[Bis(2-chloroethyl)amino]-1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
41622-07-5- PubChem CID
- 6451773
- DTXSID
DTXSID90194442
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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