(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium

C19H30O14P+ — CID 67871699

About (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium (PubChem CID 67871699) has the molecular formula C19H30O14P+ and a molecular weight of 513.41 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
• PubChem CID: 67871699
• Molecular Formula: C19H30O14P+
• Molecular Weight: 513.41 g/mol
• Exact Mass: 513.14
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
• SMILES: O=[P+](O)C(O)c1ccccc1.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C12H22O11.C7H7O3P/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;8-7(11(9)10)6-4-2-1-3-5-6/h4-11,13-20H,1-3H2;1-5,7-8H/p+1/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1
• InChIKey: MYUOXOHKBFMTFB-AKSHDPDZSA-O
• XLogP: -3.98
• TPSA: 247.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	513.41
LogP ≤ 5	-3.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium (CID 67871699) is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium is O=[P+](O)C(O)c1ccccc1.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?

The InChIKey is MYUOXOHKBFMTFB-AKSHDPDZSA-O. The full InChI is InChI=1S/C12H22O11.C7H7O3P/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;8-7(11(9)10)6-4-2-1-3-5-6/h4-11,13-20H,1-3H2;1-5,7-8H/p+1/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium has a molecular weight of 513.41 g/mol, XLogP of -3.98, 7 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium is sourced from PubChem (CID 67871699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).