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| Name |
Picroside I |
EINECS | 248-445-1 |
| CAS No. | 27409-30-9 | Density | 1.56 g/cm3 |
| PSA | 167.67000 | LogP | -1.32600 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H28O11 | Boiling Point | 778.6 °C at 760 mmHg |
| Molecular Weight | 492.48 | Flash Point | 267.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
PicrosideI (8CI);b-D-Glucopyranoside,1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl,6-(3-phenyl-2-propenoate), [1aS-[1aa,1bb,2b(E),5ab,6b,6aa]]-;6'-Cinnamoylcatalpol; |
Picroside I Specification
The Picroside I with cas registry number of 27409-30-9, its has other registry number 31200-45-0, and its system generated number is 0027409309. It is also called 6'-Cinnamoylcatalpol.
Physical properties of Picroside I: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)#H bond acceptors: 11; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 167.67 Å2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 118.04 cm3; (11)Molar Volume: 315.6 cm3; (12)Polarizability: 46.79×10-24cm3; (13)Surface Tension: 82 dyne/cm; (14)Enthalpy of Vaporization: 118.85 kJ/mol; (15)Vapour Pressure: 1.62E-25 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:c1ccc(cc1)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)O; (2)InChI:InChI=1/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22?,23+,24+/m1/s1; (3)InChIKey:XZGPUOQGERGURE-XAJLVDHKBD; (4)Std. InChI:InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22?,23+,24+/m1/s1; (5)Std. InChIKey:XZGPUOQGERGURE-XAJLVDHKSA-N.
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