-
Name
Gastrodin
- EINECS 683-202-7
- CAS No. 62499-27-8
- Article Data18
- CAS DataBase
- Density 1.504 g/cm3
- Solubility
- Melting Point 154-157oC
- Formula C13H18O7
- Boiling Point 563.2 °C at 760 mmHg
- Molecular Weight 286.282
- Flash Point 294.4 °C
- Transport Information
- Appearance White crystal.
- Safety
- Risk Codes R36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 4-(b-D-Glucopyranosyl)-benzylalcohol;4-(b-D-Glucopyranosyloxy)benzylalcohol;4-Hydroxybenzyl alcohol 4-O-b-D-glucopyranoside;
- PSA 119.61000
- LogP -1.64240
Gastrodin Chemical Properties
Product Name: beta-D-Glucopyranoside,4-(hydroxymethyl)phenyl (CAS NO.62499-27-8)
Molecular Formula: C13H18O7
Molecular Weight: 286.28g/mol
Mol File: 62499-27-8.mol
Index of Refraction: 1.638
Molar Refractivity: 68.41 cm3
Molar Volume: 190.3 cm3
Surface Tension: 70.1 dyne/cm
Density: 1.504 g/cm3
Flash Point: 294.4 °C
Enthalpy of Vaporization: 89.06 kJ/mol
Boiling Point: 563.2 °C at 760 mmHg
Vapour Pressure: 1.6E-13 mmHg at 25°C
XLogP3-AA: -0.8
H-Bond Donor: 5
H-Bond Acceptor: 7
Structure Descriptors of beta-D-Glucopyranoside,4-(hydroxymethyl)phenyl (CAS NO.62499-27-8):
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Canonical SMILES: C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O
Isomeric SMILES: C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChIKey: PUQSUZTXKPLAPR-UJPOAAIJSA-N
Product Categories: Benzhydrols, Benzyl & Special Alcohols; Natural Plant Extract
Gastrodin Specification
beta-D-Glucopyranoside,4-(hydroxymethyl)phenyl , its CAS NO. is 62499-27-8, the synonym is Gastrodine ; Gastrodin .
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