4-Nitrophenyl 2-O-alpha-D-galactopyranosyl-alpha-D-mannopyranoside
Basic information
- CAS
79580-50-0- Standard SMILES
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
ZGWCYKZKLZNQQX-CLBNRFFPSA-N- Molecular formula
- C18H25NO13
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 463.13258985
Names & identifiers
- Preferred name
- 4-Nitrophenyl 2-O-alpha-D-galactopyranosyl-alpha-D-mannopyranoside
- IUPAC
- (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 4-nitrophenyl 2-O-alpha-D-galactopyranosyl-alpha-D-mannopyranoside
- Molecular formula
- C18H25NO13
- Molecular weight
- 463.39
Names & synonyms
NGAPM79580-50-04-Nitrophenyl 2-O-alpha-D-galactopyranosyl-alpha-D-mannopyranosidePara-nitrophenyl 2-O-alpha-D-galactopyranosyl-alpha-D-mannopyranosidealpha-D-Mannopyranoside, 4-nitrophenyl 2-O-alpha-D-galactopyranosyl-RefChem:100086SCHEMBL4284803DTXSID901000604(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol4-Nitrophenyl 2-O-hexopyranosylhexopyranosideα-D-Mannopyranoside, 4-nitrophenyl 2-O-α-D-galactopyranosyl-
Database identifiers
- CAS
79580-50-0- PubChem CID
- 133233
- DTXSID
DTXSID901000604
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 612
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Compound notes
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