Cas no 146345-78-0 ([(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] (1S)-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate)
![[(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] (1S)-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate structure](https://ossimg.kuujia.com/scimg/146500/146345-78-0x500.png)
146345-78-0 structure
Product Name:[(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] (1S)-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CAS No:146345-78-0
MF:C31H46O18
MW:706.686151981354
CID:198574
Update Time:2024-03-01
[(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] (1S)-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-6-[[[(1S,4aS,7R,7aR)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]octahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl(9CI)
- b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-6-[[[(1S,4aS,7R,7aR)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]octahydro-1a-(hydroxymethyl)oxireno[4,5]
- 2-(Hexopyranosyloxy)-1a-(hydroxymethyl)octahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 1-(hexopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- [(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[
- [(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] (1S)-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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- Inchi： 1S/C31H46O18/c1-10-2-3-11-13(8-43-27(16(10)11)47-29-22(39)20(37)18(35)14(6-32)44-29)26(41)46-24-12-4-5-42-28(17(12)31(9-34)25(24)49-31)48-30-23(40)21(38)19(36)15(7-33)45-30/h8,10-12,14-25,27-30,32-40H,2-7,9H2,1H3/t10?,11?,12?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25-,27-,28?,29?,30?,31+/m0/s1
- InChI Key： JFUHCGVURJQGTM-JKQYFXJPSA-N
- SMILES： O1[C@H]2[C@H](C3CCOC(C3[C@@]12CO)OC1C(C(C(C(CO)O1)O)O)O)OC(C1=CO[C@H](C2C(C)CCC12)OC1C(C(C(C(CO)O1)O)O)O)=O
Computed Properties
- Exact Mass: 706.268
- Monoisotopic Mass: 706.268
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 49
- Rotatable Bond Count: 10
- Complexity: 1240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 15
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 276
Experimental Properties
- Density: 1.65
- Boiling Point: 932°Cat760mmHg
- Flash Point: 295.8°C
- Refractive Index: 1.661
[(2S,4S,5S)-2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] (1S)-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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