Sesamoside supplier | CasNO.117479-87-5

Name
sesamoside
EINECS
CAS No. 117479-87-5
Density 1.71 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₄O₁₂
Boiling Point 677.9 °C at 760 mmHg
Molecular Weight 420.36526
Flash Point 244.2 °C
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Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylicacid, 2-(b-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-,methyl ester, [1aR-(1aa,1bb,2b,5ab,6b,6aa)]-;Sesamoside;
PSA 187.90000
LogP -3.90460

Sesamoside Specification

The Sesamoside, with the CAS registry number 117479-87-5, is also known as CID3082856. This chemical's molecular formula is C₁₇H₂₄O₁₂ and molecular weight is 420.36526. Its IUPAC name is called methyl (1alphaR,1betaS,2S,5alphaR,6R,6alphaS)-2-(beta-D-glucopyranosyloxy)-5alpha,6-dihydroxy-1alpha-methyl-1alpha,1beta,2,5alpha,6,6alpha-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate.

Physical properties of Sesamoside: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.26; (4)ACD/LogD (pH 7.4): -2.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.4; (8)ACD/KOC (pH 7.4): 1.4; (9)#H bond acceptors: 12; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 90.12 cm³; (14)Molar Volume: 244.6 cm³; (15)Surface Tension: 93.2 dyne/cm; (16)Density: 1.71 g/cm³; (17)Flash Point: 244.2 °C; (18)Enthalpy of Vaporization: 113.84 kJ/mol; (19)Boiling Point: 677.9 °C at 760 mmHg; (20)Vapour Pressure: 2.73E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C2=C\O[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]3[C@]4(O[C@H]4[C@@H](O)[C@]23O)C
(2)InChI: InChI=1/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1
(3)InChIKey: XZVXEPPPQBLGMQ-HISQCTEXBM

Product Name

sesamoside

Sesamoside Specification

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