[(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium

C8H12O5P+ — CID 166826184

IUPAC[(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESC#CC1CC[C@H](O)[C@@H](CO[P+](=O)O)O1
InChIInChI=1S/C8H11O5P/c1-2-6-3-4-7(9)8(13-6)5-12-14(10)11/h1,6-9H,3-5H2/p+1/t6?,7-,8+/m0/s1
InChIKeyOAXMYCGAWAUFFF-ZHFSPANRSA-O
MW219.15 g/mol
LogP0.19
Rot. Bonds3

About [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium

[(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium (PubChem CID 166826184) has the molecular formula C8H12O5P+ and a molecular weight of 219.15 g/mol. Its IUPAC name is [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium
PubChem CID166826184
Molecular FormulaC8H12O5P+
Molecular Weight219.15 g/mol
Exact Mass219.04
IUPAC Name[(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESC#CC1CC[C@H](O)[C@@H](CO[P+](=O)O)O1
InChIInChI=1S/C8H11O5P/c1-2-6-3-4-7(9)8(13-6)5-12-14(10)11/h1,6-9H,3-5H2/p+1/t6?,7-,8+/m0/s1
InChIKeyOAXMYCGAWAUFFF-ZHFSPANRSA-O
XLogP0.19
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium?
The IUPAC name of [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium (CID 166826184) is [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium is C#CC1CC[C@H](O)[C@@H](CO[P+](=O)O)O1.
What is the InChIKey of [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium?
The InChIKey is OAXMYCGAWAUFFF-ZHFSPANRSA-O. The full InChI is InChI=1S/C8H11O5P/c1-2-6-3-4-7(9)8(13-6)5-12-14(10)11/h1,6-9H,3-5H2/p+1/t6?,7-,8+/m0/s1.
What are the key properties of [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium?
[(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium has a molecular weight of 219.15 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-6-ethynyl-3-hydroxyoxan-2-yl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 166826184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).