(2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol

C18H36O10 — CID 70877612

About (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol

(2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 70877612) has the molecular formula C18H36O10 and a molecular weight of 412.48 g/mol. Its IUPAC name is (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 70877612
• Molecular Formula: C18H36O10
• Molecular Weight: 412.48 g/mol
• Exact Mass: 412.23
• IUPAC Name: (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol
• SMILES: CC[C@@H]1C(CO)O[C@H](COC[C@@H](CO)C(CO)O[C@@H](CO)COC)C(O)[C@H]1O
• InChI: InChI=1S/C18H36O10/c1-3-13-15(7-22)28-16(18(24)17(13)23)10-26-8-11(4-19)14(6-21)27-12(5-20)9-25-2/h11-24H,3-10H2,1-2H3/t11-,12+,13-,14?,15?,16-,17+,18?/m1/s1
• InChIKey: IEXLLRUVDCHAHF-HQCQEFOTSA-N
• XLogP: -2.50
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.48
LogP ≤ 5	-2.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol (CID 70877612) is (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol is CC[C@@H]1C(CO)O[C@H](COC[C@@H](CO)C(CO)O[C@@H](CO)COC)C(O)[C@H]1O.

What is the InChIKey of (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is IEXLLRUVDCHAHF-HQCQEFOTSA-N. The full InChI is InChI=1S/C18H36O10/c1-3-13-15(7-22)28-16(18(24)17(13)23)10-26-8-11(4-19)14(6-21)27-12(5-20)9-25-2/h11-24H,3-10H2,1-2H3/t11-,12+,13-,14?,15?,16-,17+,18?/m1/s1.

What are the key properties of (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol?

(2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 412.48 g/mol, XLogP of -2.50, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-5-ethyl-2-[[(2R)-4-hydroxy-3-[(2S)-1-hydroxy-3-methoxypropan-2-yl]oxy-2-(hydroxymethyl)butoxy]methyl]-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 70877612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).