dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium

C6H13O8P2+ — CID 166727995

IUPACdihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium
SMILESCOP(=O)(O)O[P+](O)(O)O/C=C1\CCCO1
InChIInChI=1S/C6H12O8P2/c1-11-15(7,8)14-16(9,10)13-5-6-3-2-4-12-6/h5,9-10H,2-4H2,1H3/p+1/b6-5+
InChIKeyNYBCDUQOGLRSED-AATRIKPKSA-O
MW275.11 g/mol
LogP1.08
Rot. Bonds5

About dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium

dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium (PubChem CID 166727995) has the molecular formula C6H13O8P2+ and a molecular weight of 275.11 g/mol. Its IUPAC name is dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium.

Molecular Properties

Compound Namedihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium
PubChem CID166727995
Molecular FormulaC6H13O8P2+
Molecular Weight275.11 g/mol
Exact Mass275.01
IUPAC Namedihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium
SMILESCOP(=O)(O)O[P+](O)(O)O/C=C1\CCCO1
InChIInChI=1S/C6H12O8P2/c1-11-15(7,8)14-16(9,10)13-5-6-3-2-4-12-6/h5,9-10H,2-4H2,1H3/p+1/b6-5+
InChIKeyNYBCDUQOGLRSED-AATRIKPKSA-O
XLogP1.08
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium?
The IUPAC name of dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium (CID 166727995) is dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium.
What is the SMILES notation for dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium?
The canonical SMILES for dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium is COP(=O)(O)O[P+](O)(O)O/C=C1\CCCO1.
What is the InChIKey of dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium?
The InChIKey is NYBCDUQOGLRSED-AATRIKPKSA-O. The full InChI is InChI=1S/C6H12O8P2/c1-11-15(7,8)14-16(9,10)13-5-6-3-2-4-12-6/h5,9-10H,2-4H2,1H3/p+1/b6-5+.
What are the key properties of dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium?
dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium has a molecular weight of 275.11 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[hydroxy(methoxy)phosphoryl]oxy-[(E)-oxolan-2-ylidenemethoxy]phosphanium is sourced from PubChem (CID 166727995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).