(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane

C79H148I2O54 — CID 158823012

About (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane

(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane (PubChem CID 158823012) has the molecular formula C79H148I2O54 and a molecular weight of 2215.81 g/mol. Its IUPAC name is (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane.

Molecular Properties

• Compound Name: (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane
• PubChem CID: 158823012
• Molecular Formula: C79H148I2O54
• Molecular Weight: 2215.81 g/mol
• Exact Mass: 2214.69
• IUPAC Name: (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane
• SMILES: C.CCCOCCOCC(=O)CCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C1O.CCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.CCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C1O.CI.CI
• InChI: InChI=1S/C36H64O25.C29H52O22.C11H22O7.2CH3I.CH4/c1-2-5-51-7-8-53-15-16(41)4-3-6-52-9-10-54-33-29(50)30(24(45)20(14-40)55-33)59-35-32(27(48)23(44)18(12-38)57-35)61-36-31(26(47)22(43)19(13-39)58-36)60-34-28(49)25(46)21(42)17(11-37)56-34;1-2-3-43-4-5-44-26-22(42)23(17(37)13(9-33)45-26)49-28-25(20(40)16(36)11(7-31)47-28)51-29-24(19(39)15(35)12(8-32)48-29)50-27-21(41)18(38)14(34)10(6-30)46-27;1-2-3-16-4-5-17-11-10(15)9(14)8(13)7(6-12)18-11;2*1-2;/h17-40,42-50H,2-15H2,1H3;10-42H,2-9H2,1H3;7-15H,2-6H2,1H3;2*1H3;1H4/t17?,18?,19?,20?,21-,22-,23-,24-,25+,26+,27+,28?,29?,30+,31?,32?,33+,34-,35-,36-;10?,11?,12?,13?,14-,15-,16-,17-,18+,19+,20+,21?,22?,23+,24?,25?,26+,27-,28-,29-;7?,8-,9+,10?,11+;;;/m111.../s1
• InChIKey: IWCLISNMFJEFDT-AGWTUJNASA-N
• XLogP: -15.25
• TPSA: 836.26 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 54
• Rotatable Bonds: 48
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2215.81
LogP ≤ 5	-15.25
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane?

The IUPAC name of (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane (CID 158823012) is (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane.

What is the SMILES notation for (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane?

The canonical SMILES for (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane is C.CCCOCCOCC(=O)CCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C1O.CCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.CCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C1O.CI.CI.

What is the InChIKey of (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane?

The InChIKey is IWCLISNMFJEFDT-AGWTUJNASA-N. The full InChI is InChI=1S/C36H64O25.C29H52O22.C11H22O7.2CH3I.CH4/c1-2-5-51-7-8-53-15-16(41)4-3-6-52-9-10-54-33-29(50)30(24(45)20(14-40)55-33)59-35-32(27(48)23(44)18(12-38)57-35)61-36-31(26(47)22(43)19(13-39)58-36)60-34-28(49)25(46)21(42)17(11-37)56-34;1-2-3-43-4-5-44-26-22(42)23(17(37)13(9-33)45-26)49-28-25(20(40)16(36)11(7-31)47-28)51-29-24(19(39)15(35)12(8-32)48-29)50-27-21(41)18(38)14(34)10(6-30)46-27;1-2-3-16-4-5-17-11-10(15)9(14)8(13)7(6-12)18-11;2*1-2;/h17-40,42-50H,2-15H2,1H3;10-42H,2-9H2,1H3;7-15H,2-6H2,1H3;2*1H3;1H4/t17?,18?,19?,20?,21-,22-,23-,24-,25+,26+,27+,28?,29?,30+,31?,32?,33+,34-,35-,36-;10?,11?,12?,13?,14-,15-,16-,17-,18+,19+,20+,21?,22?,23+,24?,25?,26+,27-,28-,29-;7?,8-,9+,10?,11+;;;/m111.../s1.

What are the key properties of (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane?

(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane has a molecular weight of 2215.81 g/mol, XLogP of -15.25, 48 rotatable bonds, 30 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(3R,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-[2-[(2S,4S,5R)-4-[(2R,4S,5S)-3-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-(2-propoxyethoxy)pentan-2-one;(3S,4S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol;iodomethane;methane is sourced from PubChem (CID 158823012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).