Basic information
- CAS
72647-96-2- Standard SMILES
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)cc1- InChIKey
ISCYUJSLZREARS-LFVZYRDMSA-N- Molecular formula
- C18H25NO13
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 463.13258985
Overview
structure
Names & identifiers
- Preferred name
- 4-Nitrophenyl 6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranoside
- IUPAC
- (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
- English name
- 4-Nitrophenyl 6-O-(a-D-Mannopyranosyl)-a-D-mannopyranoside
- Molecular formula
- C18H25NO13
- Molecular weight
- 463.39
Names & synonyms
72647-96-24-Nitrophenyl 6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosidePara-nitrophenyl 6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosidealpha-D-Mannopyranoside, 4-nitrophenyl 6-O-alpha-D-mannopyranosyl-RefChem:1000954-Nitrophenyl 6-O-(a-D-mannopyranosyl)-a-D-mannopyranoside(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol4-Nitrophenyl 6-O-(alpha-D-Mannopyranosyl)-alpha-D-mannopyranoside(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy}oxane-3,4,5-triolorb2941358SCHEMBL4276428DTXSID40993487
Show more names
Man1-α-6Man-α-OPNP4-Nitrophenyl 6-O-(α-D-Mannopyranosyl)-α-D-mannopyranosideα-D-Mannopyranoside, 4-nitrophenyl 6-O-α-D-mannopyranosyl-4-Nitrophenyl 6-O-(α-D-Mannopyranosyl)-α-D-mannopyranoside, CAS 72647-96-2
TSW-00674EN06126DB-2468804-Nitrophenyl 6-O-hexopyranosylhexopyranosido4-Nitrophenyl 6-O-(?-D-Mannopyranosyl)-?-D-mannopyranoside(2R,3S,4S,5S,6R)-2-(4-Nitrophenoxy)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -2.6
- 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
Physicochemical properties
- Melting point
- 176 · 176-178°C
- Boiling point
- 791.3 · 791.3±60.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMF, DMSO, Water
- form
- Solid
- pka
- 12.53 · 12.53±0.70(Predicted)
- color
- White
- CAS DataBase Reference
- 72647 · 72647-96-2
Chemistry & industry
Applications
Uses4-Nitrophenyl 6-O-(α-D-Mannopyranosyl)-α-D-mannopyranoside (cas# 72647-96-2) is a compound useful in organic synthesis.
Suppliers4 total
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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