(2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

C20H34O10 — CID 162925122

About (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol (PubChem CID 162925122) has the molecular formula C20H34O10 and a molecular weight of 434.48 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
• PubChem CID: 162925122
• Molecular Formula: C20H34O10
• Molecular Weight: 434.48 g/mol
• Exact Mass: 434.22
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
• SMILES: CC(C)=CCC/C(C)=C\O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C20H34O10/c1-10(2)5-4-6-11(3)7-27-20-18(26)16(24)15(23)13(30-20)9-29-19-17(25)14(22)12(21)8-28-19/h5,7,12-26H,4,6,8-9H2,1-3H3/b11-7-/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
• InChIKey: LZTNUPBSLSTZLA-CDXPUMSDSA-N
• XLogP: -1.08
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	-1.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol (CID 162925122) is (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol is CC(C)=CCC/C(C)=C\O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?

The InChIKey is LZTNUPBSLSTZLA-CDXPUMSDSA-N. The full InChI is InChI=1S/C20H34O10/c1-10(2)5-4-6-11(3)7-27-20-18(26)16(24)15(23)13(30-20)9-29-19-17(25)14(22)12(21)8-28-19/h5,7,12-26H,4,6,8-9H2,1-3H3/b11-7-/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol has a molecular weight of 434.48 g/mol, XLogP of -1.08, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol is sourced from PubChem (CID 162925122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).