hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium

C7H10NO5P2S+ — CID 22866812

IUPAChydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium
SMILESCOP(=O)(O)[C@@H](Sc1ccccn1)[P+](=O)O
InChIInChI=1S/C7H9NO5P2S/c1-13-15(11,12)7(14(9)10)16-6-4-2-3-5-8-6/h2-5,7H,1H3,(H-,9,10,11,12)/p+1/t7-/m0/s1
InChIKeyWWOGROSACSUEGL-ZETCQYMHSA-O
MW282.17 g/mol
LogP2.02
Rot. Bonds5

About hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium

hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium (PubChem CID 22866812) has the molecular formula C7H10NO5P2S+ and a molecular weight of 282.17 g/mol. Its IUPAC name is hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium
PubChem CID22866812
Molecular FormulaC7H10NO5P2S+
Molecular Weight282.17 g/mol
Exact Mass281.97
IUPAC Namehydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium
SMILESCOP(=O)(O)[C@@H](Sc1ccccn1)[P+](=O)O
InChIInChI=1S/C7H9NO5P2S/c1-13-15(11,12)7(14(9)10)16-6-4-2-3-5-8-6/h2-5,7H,1H3,(H-,9,10,11,12)/p+1/t7-/m0/s1
InChIKeyWWOGROSACSUEGL-ZETCQYMHSA-O
XLogP2.02
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium?
The IUPAC name of hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium (CID 22866812) is hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium?
The canonical SMILES for hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium is COP(=O)(O)[C@@H](Sc1ccccn1)[P+](=O)O.
What is the InChIKey of hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium?
The InChIKey is WWOGROSACSUEGL-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H9NO5P2S/c1-13-15(11,12)7(14(9)10)16-6-4-2-3-5-8-6/h2-5,7H,1H3,(H-,9,10,11,12)/p+1/t7-/m0/s1.
What are the key properties of hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium?
hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium has a molecular weight of 282.17 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(S)-[hydroxy(methoxy)phosphoryl]-pyridin-2-ylsulfanylmethyl]-oxophosphanium is sourced from PubChem (CID 22866812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).