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Corchoionoside C

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Name

Corchoionoside C

EINECS N/A
CAS No. 185414-25-9 Density 1.32 g/cm3
PSA 136.68000 LogP -0.57600
Solubility N/A Melting Point N/A
Formula C19H30O8 Boiling Point 595.9 °C at 760 mmHg
Molecular Weight 386.438 Flash Point 207.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 185414-25-9 (Corchoionoside C) Hazard Symbols N/A
Synonyms

Corchoioside C;

 

Corchoionoside C Specification

The Corchoionoside C has CAS registry number 185414-25-9. This chemical's molecular formula is C19H30O8 and molecular weight is 386.438. What's more, its systematic name is (1S,2E)-3-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-1-methylprop-2-en-1-yl β-D-glucopyranoside.

Physical properties about the Corchoionoside C are: (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.98; (8)ACD/KOC (pH 7.4): 6.98; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 81.68 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 96.68 cm3; (15)Molar Volume: 290.6 cm3; (16)Surface Tension: 61.8 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 207.7 °C; (19)Enthalpy of Vaporization: 101.89 kJ/mol; (20)Boiling Point: 595.9 °C at 760 mmHg; (21)Vapour Pressure: 1.11E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C=C(/C)[C@](O)(/C=C/[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C)C(C)(C)C2
(2) InChI: InChI=1/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13+,14+,15-,16+,17+,19+/m0/s1
(3) InChIKey: SWYRVCGNMNAFEK-PUVRWCMWBO

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