(2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol

C19H34O10 — CID 102338931

About (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol

(2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol (PubChem CID 102338931) has the molecular formula C19H34O10 and a molecular weight of 422.47 g/mol. Its IUPAC name is (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol.

Molecular Properties

• Compound Name: (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol
• PubChem CID: 102338931
• Molecular Formula: C19H34O10
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.22
• IUPAC Name: (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol
• SMILES: CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@@](C)(O)[C@@]12CC[C@@](C)(O)O2
• InChI: InChI=1S/C19H34O10/c1-16(2)14(28-15-13(24)12(23)11(22)10(8-20)27-15)9(21)7-17(3,25)19(16)6-5-18(4,26)29-19/h9-15,20-26H,5-8H2,1-4H3/t9-,10-,11-,12+,13-,14+,15+,17-,18+,19-/m1/s1
• InChIKey: XUSRKYSAUXYMAV-HPTDIWFOSA-N
• XLogP: -2.03
• TPSA: 169.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	-2.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol?

The IUPAC name of (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol (CID 102338931) is (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol.

What is the SMILES notation for (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol?

The canonical SMILES for (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol is CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@@](C)(O)[C@@]12CC[C@@](C)(O)O2.

What is the InChIKey of (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol?

The InChIKey is XUSRKYSAUXYMAV-HPTDIWFOSA-N. The full InChI is InChI=1S/C19H34O10/c1-16(2)14(28-15-13(24)12(23)11(22)10(8-20)27-15)9(21)7-17(3,25)19(16)6-5-18(4,26)29-19/h9-15,20-26H,5-8H2,1-4H3/t9-,10-,11-,12+,13-,14+,15+,17-,18+,19-/m1/s1.

What are the key properties of (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol?

(2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol has a molecular weight of 422.47 g/mol, XLogP of -2.03, 3 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,6R,8R,9R)-2,6,10,10-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxaspiro[4.5]decane-2,6,8-triol is sourced from PubChem (CID 102338931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).