(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H20O10 — CID 88590582

About (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 88590582) has the molecular formula C14H20O10 and a molecular weight of 348.30 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 88590582
• Molecular Formula: C14H20O10
• Molecular Weight: 348.30 g/mol
• Exact Mass: 348.11
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C14H20O10/c15-3-5-8(17)9(18)10(19)13(22-5)23-12-6-4(1-2-21-12)7(16)11-14(6,20)24-11/h1-2,4-13,15-20H,3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12+,13+,14-/m1/s1
• InChIKey: BAHDQXNENUZCJE-UKQXFTDVSA-N
• XLogP: -3.63
• TPSA: 161.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.30
LogP ≤ 5	-3.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 88590582) is (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is BAHDQXNENUZCJE-UKQXFTDVSA-N. The full InChI is InChI=1S/C14H20O10/c15-3-5-8(17)9(18)10(19)13(22-5)23-12-6-4(1-2-21-12)7(16)11-14(6,20)24-11/h1-2,4-13,15-20H,3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12+,13+,14-/m1/s1.

What are the key properties of (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 348.30 g/mol, XLogP of -3.63, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-2,5-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 88590582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).