2,5-Anhydro-D-mannitol

HCID 73544CAS 41107-82-8

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Grundinformationen

Standard-SMILES: OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: MCHWWJLLPNDHGL-KVTDHHQDSA-N
Summenformel: C6H12O5
Durchschnittliche Molmasse: 164,16 g/mol
Monoisotopische Masse: 164,06847348

Namen und Bezeichner

Bevorzugter Name: 2,5-anhydro-D-mannitol
IUPAC: (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Lokaler Name: 2,5-Anhydro-D-mannitol
Englischer Name: 2,5-Anhydro-D-mannitol
Summenformel: C6H12O5
Molmasse: 164.16

Namen und Synonyme

2,5-Anhydro-D-mannitol41107-82-8D-Mannitol, 2,5-anhydro-2,5-AnhydromannitolW5DLZ1WC4BNSC-129241RefChem:82689GlyTouCan:G68961XX2,5-anhydromannitol, (D)-G68961XX255-221-7(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol

Weitere Namen anzeigen

Sparsentan Impurity 512,5-Anhydro-D-mannitol,99%2-Deoxy-β-D-fructofuranose2,5-Anhydro-D-mannitol ,98%2,5-Anhydro-D-mannitol, Min. 98%2,5-Anhydro-D-mannitol USP/EP/BP

(2R,3S,4S,5R)-2,5-Bis(hydroxymethyl)tetrahydrofuran-3,4-diolMFCD00012443A1IVPNSC1292412,5-bis(hydroxymethyl)oxolane-3,4-diolEINECS 255-221-7NSC 129241UNII-W5DLZ1WC4B

Datenbank-Bezeichner

CAS: 41107-82-8
PubChem CID: 73544
UNII: W5DLZ1WC4B
EC Number: 255-221-7
Nikkaji: J294.832J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,5
Polarare Oberfläche (TPSA): 90,2 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-103 °C(lit.)
Siedepunkt: 211.61 °C · 211.61°C (rough estimate)
Dichte: 1.1738 · 1.1738 (rough estimate)
Brechungsindex: 1.423 · 1.4230 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
pka: 13.26 · 13.26±0.70(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey: MCHWWJLLPNDHGL-KVTDHHQDSA-N
SMILES: [C@H]1(O)[C@H](O)[C@@H](CO)O[C@@H]1CO

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2940000080
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25

Chemie und Industrie

Anwendungen

VerwendenA carbohydrate metabolism regulator that has been shown to inhibit gluconeogenesis from lactate plus pyruvate and from substrates that enter the gluconeogenic pathway as triose phosphate