(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

C64H116O45 — CID 167709406

About (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (PubChem CID 167709406) has the molecular formula C64H116O45 and a molecular weight of 1605.59 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• PubChem CID: 167709406
• Molecular Formula: C64H116O45
• Molecular Weight: 1605.59 g/mol
• Exact Mass: 1604.68
• IUPAC Name: (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• SMILES: CCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O.CCCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
• InChI: InChI=1S/C22H40O16.C21H38O15.C21H38O14/c1-2-3-4-33-22-19(38-21-18(32)15(29)12(26)9(6-24)36-21)16(30)13(27)10(37-22)7-34-20-17(31)14(28)11(25)8(5-23)35-20;1-3-4-31-20-17(30)18(36-21-16(29)14(27)11(24)8(5-22)34-21)12(25)9(35-20)6-32-19-15(28)13(26)10(23)7(2)33-19;1-4-5-30-20-17(29)18(35-21-16(28)14(26)11(23)8(3)33-21)12(24)9(34-20)6-31-19-15(27)13(25)10(22)7(2)32-19/h8-32H,2-7H2,1H3;7-30H,3-6H2,1-2H3;7-29H,4-6H2,1-3H3/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19+,20+,21-,22-;7-,8+,9+,10+,11+,12+,13-,14-,15-,16-,17-,18-,19+,20-,21+;7-,8-,9+,10+,11+,12+,13-,14+,15-,16-,17-,18-,19+,20-,21-/m100/s1
• InChIKey: ZOZJKCRBFJRGEW-SNQGWFDFSA-N
• XLogP: -14.94
• TPSA: 712.35 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 45
• Rotatable Bonds: 28
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1605.59
LogP ≤ 5	-14.94
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The IUPAC name of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (CID 167709406) is (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The canonical SMILES for (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is CCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O.CCCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.

What is the InChIKey of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The InChIKey is ZOZJKCRBFJRGEW-SNQGWFDFSA-N. The full InChI is InChI=1S/C22H40O16.C21H38O15.C21H38O14/c1-2-3-4-33-22-19(38-21-18(32)15(29)12(26)9(6-24)36-21)16(30)13(27)10(37-22)7-34-20-17(31)14(28)11(25)8(5-23)35-20;1-3-4-31-20-17(30)18(36-21-16(29)14(27)11(24)8(5-22)34-21)12(25)9(35-20)6-32-19-15(28)13(26)10(23)7(2)33-19;1-4-5-30-20-17(29)18(35-21-16(28)14(26)11(23)8(3)33-21)12(24)9(34-20)6-31-19-15(27)13(25)10(22)7(2)32-19/h8-32H,2-7H2,1H3;7-30H,3-6H2,1-2H3;7-29H,4-6H2,1-3H3/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19+,20+,21-,22-;7-,8+,9+,10+,11+,12+,13-,14-,15-,16-,17-,18-,19+,20-,21+;7-,8-,9+,10+,11+,12+,13-,14+,15-,16-,17-,18-,19+,20-,21-/m100/s1.

What are the key properties of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol has a molecular weight of 1605.59 g/mol, XLogP of -14.94, 28 rotatable bonds, 27 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-butoxy-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;(2R,3S,4S,5S,6S)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 167709406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).