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

C20H30O10 — CID 163059468

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

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol (PubChem CID 163059468) has the molecular formula C20H30O10 and a molecular weight of 430.45 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol
• PubChem CID: 163059468
• Molecular Formula: C20H30O10
• Molecular Weight: 430.45 g/mol
• Exact Mass: 430.18
• IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol
• SMILES: OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C20H30O10/c21-9-12-14(22)17(25)20(29-12)28-10-13-15(23)16(24)18(26)19(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-26H,4,7-10H2/t12-,13+,14-,15+,16-,17+,18+,19+,20+/m0/s1
• InChIKey: YQQWGOKLKTVFPO-WDPYWSMMSA-N
• XLogP: -2.10
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.45
LogP ≤ 5	-2.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol (CID 163059468) is (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol.

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

The canonical SMILES for (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol is OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O.

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

The InChIKey is YQQWGOKLKTVFPO-WDPYWSMMSA-N. The full InChI is InChI=1S/C20H30O10/c21-9-12-14(22)17(25)20(29-12)28-10-13-15(23)16(24)18(26)19(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-26H,4,7-10H2/t12-,13+,14-,15+,16-,17+,18+,19+,20+/m0/s1.

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

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol has a molecular weight of 430.45 g/mol, XLogP of -2.10, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-phenylpropoxy)oxane-3,4,5-triol is sourced from PubChem (CID 163059468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).