hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium

C13H18O11P2+2 — CID 122401263

About hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium

hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium (PubChem CID 122401263) has the molecular formula C13H18O11P2+2 and a molecular weight of 412.22 g/mol. Its IUPAC name is hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium.

Molecular Properties

• Compound Name: hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium
• PubChem CID: 122401263
• Molecular Formula: C13H18O11P2+2
• Molecular Weight: 412.22 g/mol
• Exact Mass: 412.03
• IUPAC Name: hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium
• SMILES: O=[P+](O)O[C@H]1[C@H](Oc2ccccc2CO)O[C@H](CO)[C@@H](O[P+](=O)O)[C@@H]1O
• InChI: InChI=1S/C13H16O11P2/c14-5-7-3-1-2-4-8(7)21-13-12(24-26(19)20)10(16)11(23-25(17)18)9(6-15)22-13/h1-4,9-16H,5-6H2/p+2/t9-,10+,11-,12-,13-/m1/s1
• InChIKey: DNWGNHNDZHSNEU-NZEXEKPDSA-P
• XLogP: -0.29
• TPSA: 172.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.22
LogP ≤ 5	-0.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium?

The IUPAC name of hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium (CID 122401263) is hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium.

What is the SMILES notation for hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium?

The canonical SMILES for hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium is O=[P+](O)O[C@H]1[C@H](Oc2ccccc2CO)O[C@H](CO)[C@@H](O[P+](=O)O)[C@@H]1O.

What is the InChIKey of hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium?

The InChIKey is DNWGNHNDZHSNEU-NZEXEKPDSA-P. The full InChI is InChI=1S/C13H16O11P2/c14-5-7-3-1-2-4-8(7)21-13-12(24-26(19)20)10(16)11(23-25(17)18)9(6-15)22-13/h1-4,9-16H,5-6H2/p+2/t9-,10+,11-,12-,13-/m1/s1.

What are the key properties of hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium?

hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium has a molecular weight of 412.22 g/mol, XLogP of -0.29, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxy-[(2R,3S,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]-5-[hydroxy(oxo)phosphaniumyl]oxyoxan-3-yl]oxy-oxophosphanium is sourced from PubChem (CID 122401263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).