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| CAS No.: | 79484-75-6 |
|---|---|
| Name: | [(1S,3aR,4S,6aS)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene)bis-beta-D-glucopyranoside |
| Molecular Structure: | |
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| Formula: | C34H46O18 |
| Molecular Weight: | 742.728 |
| Synonyms: | a-D-Glucopyranoside,[(1S,3aR,4S,6aS)-tetrahydro- 1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,- 6-dimethoxy-4,1-phenylene) bis-; |
| Density: | 1.475 g/cm3 |
| Boiling Point: | 935.739 °C at 760 mmHg |
| Flash Point: | 519.716 °C |
| PSA: | 254.14000 |
| LogP: | -1.84640 |
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Specification
The Eleutheroside D with the CAS number 79484-75-6 is also called â-D-Glucopyranoside,[(1S,3aR,4S,6aS)-tetrahydro- 1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,- 6-dimethoxy-4,1-phenylene) bis-. The systematic name is (2S,3R,4S,5S,6R)-2-[4-[(3S,3aS,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol. Its molecular formula is C34H46O18. This chemical should be stored in dry and cool environment.
The properties of the Eleutheroside D are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 18; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 20; (9)Polar Surface Area: 254.14 Å2; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 175.95 cm3; (12)Molar Volume: 503.577 cm3; (13)Polarizability: 69.752×10-24cm3; (14)Surface Tension: 61.718 dyne/cm; (15)Enthalpy of Vaporization: 142.618 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@@H]3[C@@H]4CO[C@@H]([C@H]4CO3)c5cc(c(c(c5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC
(2)InChI: InChI=1/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16+,21-,22-,23-,24-,25+,26+,27-,28-,29-,30-,33+,34+/m1/s1
(3)InChIKey: FFDULTAFAQRACT-LHJOJEKWBK