ChemicalBook--->CAS DataBase List--->148579-94-6

148579-94-6

148579-94-6 Structure

148579-94-6 Structure
IdentificationBack Directory
[Name]

(25,3R,45,55,65)-2-(4-(hydroxymethyl)-2-nitrophenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[CAS]

148579-94-6
[Synonyms]

4-(Hydroxymethyl)-2-nitrophenyl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate
2,3,4-Tri-O-acetyl-1-O-[4-(Hydroxymethyl)-2-nitrophenyl]-beta-D-glucuronideMethylEster
β-D-Glucopyranosiduronic acid, 4-(hydroxymethyl)-2-nitrophenyl, methyl ester, 2,3,4-triacetate
(25,3R,45,55,65)-2-(4-(hydroxymethyl)-2-nitrophenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
(2S,3R,4S,5S,6S)-2-(4-(hydroxymethyl)-2-nitrophenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[Molecular Formula]

C20H23NO13
[MOL File]

148579-94-6.mol
[Molecular Weight]

485.4
Chemical PropertiesBack Directory
[Melting point ]

167-168 °C
[Boiling point ]

602.3±55.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

13.52±0.10(Predicted)
[Appearance]

White to off-white Solid
[Optical Rotation]

17.1571°(C=0.9942g/100ml CHCL3)
[InChIKey]

GJBOWDPMTQHFJU-KVIJGQROSA-N
[SMILES]

O(C1=CC=C(CO)C=C1[N+]([O-])=O)[C@@H]1O[C@H](C(OC)=O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

(25,3R,45,55,65)-2-(4-(hydroxymethyl)-2-nitrophenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate(148579-94-6)1HNMR
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