Basic information
- CAS
101455-34-9- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
IDZAUULRQLIPGI-UHFFFAOYSA-N- Molecular formula
- C18H26NO16P
- Average molar mass
- 543.4 g/mol
- Monoisotopic mass
- 543.09892074
Overview
structure given in first source; RN given refers to the sodium salt
Names & identifiers
- Preferred name
- 4-Nitrophenyl-(alpha)-mannopyranoside 6-(alpha-glucopyranosyl phosphate)
- IUPAC
- (4-nitrophenyl) [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
- English name
- 4-nitrophenyl-(alpha)-mannopyranoside 6-(alpha-glucopyranosyl phosphate)
- Molecular formula
- C18H26NO16P.Na
- Molecular weight
- 566.36
Names & synonyms
4-Npmgp101455-34-94-Nitrophenyl-(alpha)-mannopyranoside 6-(alpha-glucopyranosyl phosphate)RefChem:100123(4-nitrophenyl) [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
Database identifiers
- CAS
101455-34-9- PubChem CID
- 146992
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 271 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 777
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…