Panose

HCID 94448

Notes Reactions

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Basic information

CAS: 33401-87-5
Standard SMILES: O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIKey: ZCLAHGAZPPEVDX-MQHGYYCBSA-N
Molecular formula: C18H32O16
Average molar mass: 504.4 g/mol
Monoisotopic mass: 504.16903493

Names & identifiers

Preferred name: Panose
IUPAC: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
English name: PANOSE
Molecular formula: C18H32O16
Molecular weight: 504.44

Names & synonyms

Panose33401-87-5DB2AF4EE2DCHEBI:7912O-alpha-D-Glucopyranosyl-(1.6)-O-alpha-D-glucopyranosyl-(1.4)-D-glucose(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanalalpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyhexanalRefChem:169889GlyTouCan:G96853FUG96853FUglucosyl-alpha-(1,6)-glucosyl-alpha-(1,4)-glucose

Show more names

D-PANOSEPanorich4-IsomaltD-PannosePanose - 1g4)-D-glucoseMixedisomeresPanose - 250 mgPANOSE USP/EP/BP

251-500-2MFCD00151376(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanalEINECS 251-500-2AKOS040758054HY-111951CS-0094372E78090

Database identifiers

CAS: 33401-87-5
PubChem CID: 94448
ChEBI: CHEBI:7912
UNII: DB2AF4EE2D
EC Number: 251-500-2
Nikkaji: J208.896G

Properties

Computed structural properties

XLogP: -7.2
Topological polar surface area: 277 Å²
Hydrogen bond donors: 11
Hydrogen bond acceptors: 16
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 625

Physicochemical properties

Melting point: 223 °C · 223 °C
Boiling point: 960 · 960.0±65.0 °C(Predicted)
Density: 1.75 · 1.75±0.1 g/cm3(Predicted)
refractive index: 155 ° · 155 ° (C=2, H2O)
storage temp.: 4 °C, · 4°C, protect from light
solubility: Soluble (water)
form: Solid
pka: 12.39 · 12.39±0.20(Predicted)
color: White to off-white
optical activity: 154 · +154
Water Solubility: 125 mg/mL · Water : 125 mg/mL (247.80 mM)
BRN: 100481 · 100481
InChIKey: ZCLAHGAZPPEVDX-MQHGYYCBSA-N
SMILES: O([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O
LogP: -5.563 · -5.563 (est)
FDA UNII: 2 AF4EE2D · DB2AF4EE2D
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany: 3 · 3
F: 3 · 3
HS Code: 29400090 · 29400090