-
Name
Sweroside
- EINECS
- CAS No. 14215-86-2
- Article Data5
- CAS DataBase
- Density 1.49 g/cm3
- Solubility
- Melting Point 106～109℃
- Formula C16H22O9
- Boiling Point 630.332 °C at 760 mmHg
- Molecular Weight 358.345
- Flash Point 231.791 °C
- Transport Information
- Appearance
- Safety 24/25
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Sweroside (8CI);1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-6-(b-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-,(4aS,5R,6S)-;(4aS,5R,6S)-5-Ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one;
- PSA 134.91000
- LogP -1.59160
Sweroside Chemical Properties
Molecule structure of Sweroside (CAS NO.14215-86-2):
IUPAC Name: (4aS,5R,6S)-5-Ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,
6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
Molecular Weight: 358.34048 g/mol
Molecular Formula: C16H22O9
Density: 1.49 g/cm3
Boiling Point: 630.3 °C at 760 mmHg
Flash Point: 231.8 °C
Index of Refraction: 1.602
Molar Refractivity: 82.49 cm3
Molar Volume: 240.4 cm3
Surface Tension: 69.2 dyne/cm
Enthalpy of Vaporization: 106.85 kJ/mol
Vapour Pressure: 1.55E-18 mmHg at 25 °C
XLogP3-AA: -0.9
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 4
Exact Mass: 358.126382
MonoIsotopic Mass: 358.126382
Topological Polar Surface Area: 135
Heavy Atom Count: 25
Canonical SMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H][C@H](O3)CO)O)O)O
InChI: InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey: VSJGJMKGNMDJCI-ZASXJUAOSA-N
Product Categories of Sweroside (CAS NO.14215-86-2): Heterocycles
Sweroside Specification
Sweroside (CAS NO.14215-86-2) is also named as 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))- ; (4aS,5R,6S)-5-Ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one .
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