(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol

C19H36O11 — CID 38358315

About (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol (PubChem CID 38358315) has the molecular formula C19H36O11 and a molecular weight of 440.49 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol
• PubChem CID: 38358315
• Molecular Formula: C19H36O11
• Molecular Weight: 440.49 g/mol
• Exact Mass: 440.23
• IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol
• SMILES: CC[C@H](CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O
• InChI: InChI=1S/C19H36O11/c1-4-10(18(2,3)25)5-6-27-16-14(23)13(22)12(21)11(30-16)7-28-17-15(24)19(26,8-20)9-29-17/h10-17,20-26H,4-9H2,1-3H3/t10-,11-,12-,13+,14-,15+,16-,17+,19-/m1/s1
• InChIKey: ZHOUHFMRWBOCFO-DSWTVYGMSA-N
• XLogP: -2.55
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	440.49
LogP ≤ 5	-2.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol (CID 38358315) is (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol is CC[C@H](CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O.

What is the InChIKey of (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol?

The InChIKey is ZHOUHFMRWBOCFO-DSWTVYGMSA-N. The full InChI is InChI=1S/C19H36O11/c1-4-10(18(2,3)25)5-6-27-16-14(23)13(22)12(21)11(30-16)7-28-17-15(24)19(26,8-20)9-29-17/h10-17,20-26H,4-9H2,1-3H3/t10-,11-,12-,13+,14-,15+,16-,17+,19-/m1/s1.

What are the key properties of (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol?

(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol has a molecular weight of 440.49 g/mol, XLogP of -2.55, 10 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]oxane-3,4,5-triol is sourced from PubChem (CID 38358315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).