(2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C22H40O18 — CID 91849630

About (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 91849630) has the molecular formula C22H40O18 and a molecular weight of 592.54 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 91849630
• Molecular Formula: C22H40O18
• Molecular Weight: 592.54 g/mol
• Exact Mass: 592.22
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](O)CO)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
• InChI: InChI=1S/C22H40O18/c1-34-19-12(28)9(4-25)38-22(17(19)33)40-18-10(39-21(16(32)14(18)30)35-5-7(26)2-23)6-36-20-15(31)13(29)11(27)8(3-24)37-20/h7-33H,2-6H2,1H3/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-,22+/m1/s1
• InChIKey: ARCXIAQBPXHOOH-NHUVZPLZSA-N
• XLogP: -7.54
• TPSA: 287.14 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	592.54
LogP ≤ 5	-7.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 91849630) is (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](O)CO)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is ARCXIAQBPXHOOH-NHUVZPLZSA-N. The full InChI is InChI=1S/C22H40O18/c1-34-19-12(28)9(4-25)38-22(17(19)33)40-18-10(39-21(16(32)14(18)30)35-5-7(26)2-23)6-36-20-15(31)13(29)11(27)8(3-24)37-20/h7-33H,2-6H2,1H3/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-,22+/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 592.54 g/mol, XLogP of -7.54, 12 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-[(2R)-2,3-dihydroxypropoxy]-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91849630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).