Cas no 156928-68-6 (Pod-II)
Pod-II structure
Product Name:Pod-II
CAS No:156928-68-6
MF:C50H80O23
MW:1049.15641880035
CID:194025
PubChem ID:190860
Update Time:2024-02-28
Pod-II Chemical and Physical Properties
Names and Identifiers
-
- b-D-Galactopyranoside, (3b,25R)-14-hydroxyspirost-5-en-3-ylO-b-D-glucopyranosyl-(1®
- 14-hydroxyspirost-5-en-3-yl hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside
- 3)]-O-b-D-glucopyranosyl-(1®
- 3-O-beta-D-Glucopyranosyl-(1-2)-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-4)-galactopyranosyl-25(R)-spirost-5-en-3beta,14alpha-diol
- 4)- (9CI)
- Pod-II
- 156928-68-6
- 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- DTXSID30935573
-
- Inchi: 1S/C50H80O23/c1-20-7-12-50(65-18-20)21(2)31-27(73-50)14-49(63)25-6-5-22-13-23(8-10-47(22,3)24(25)9-11-48(31,49)4)66-44-39(62)36(59)40(30(17-53)69-44)70-46-42(72-45-38(61)35(58)33(56)28(15-51)67-45)41(34(57)29(16-52)68-46)71-43-37(60)32(55)26(54)19-64-43/h5,20-21,23-46,51-63H,6-19H2,1-4H3
- InChI Key: BSPJQLDWNQBHGY-UHFFFAOYSA-N
- SMILES: O1C2(CCC(C)CO2)C(C)C2C1CC1(C3CC=C4CC(CCC4(C)C3CCC12C)OC1C(C(C(C(CO)O1)OC1C(C(C(C(CO)O1)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(CO)O1)O)O)O)O)O)O
Computed Properties
- Exact Mass: 1048.509
- Monoisotopic Mass: 1048.509
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 23
- Heavy Atom Count: 73
- Rotatable Bond Count: 11
- Complexity: 1950
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 30
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 355
- XLogP3: -2.4
Experimental Properties
- Density: 1.53
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.65
Pod-II Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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