(2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H32O11 — CID 71718490

About (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 71718490) has the molecular formula C27H32O11 and a molecular weight of 532.54 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 71718490
• Molecular Formula: C27H32O11
• Molecular Weight: 532.54 g/mol
• Exact Mass: 532.19
• IUPAC Name: (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OCc3c4ccccc4cc4ccccc34)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C27H32O11/c28-10-18-20(29)22(31)24(33)27(37-18)36-12-19-21(30)23(32)25(34)26(38-19)35-11-17-15-7-3-1-5-13(15)9-14-6-2-4-8-16(14)17/h1-9,18-34H,10-12H2/t18-,19-,20+,21+,22-,23-,24-,25-,26+,27+/m0/s1
• InChIKey: AHSFHJLNLMSCDZ-VIMUIQDISA-N
• XLogP: -0.87
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	532.54
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 71718490) is (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OCc3c4ccccc4cc4ccccc34)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is AHSFHJLNLMSCDZ-VIMUIQDISA-N. The full InChI is InChI=1S/C27H32O11/c28-10-18-20(29)22(31)24(33)27(37-18)36-12-19-21(30)23(32)25(34)26(38-19)35-11-17-15-7-3-1-5-13(15)9-14-6-2-4-8-16(14)17/h1-9,18-34H,10-12H2/t18-,19-,20+,21+,22-,23-,24-,25-,26+,27+/m0/s1.

What are the key properties of (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 532.54 g/mol, XLogP of -0.87, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(anthracen-9-ylmethoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 71718490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).