hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium

C2H7NO6P2+2 — CID 118465860

IUPAChydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium
SMILESCNC(O[P+](=O)O)O[P+](=O)O
InChIInChI=1S/C2H5NO6P2/c1-3-2(8-10(4)5)9-11(6)7/h2-3H,1H3/p+2
InChIKeyBZPLGBVUIKTOIL-UHFFFAOYSA-P
MW203.03 g/mol
LogP-0.18
Rot. Bonds5

About hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium

hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium (PubChem CID 118465860) has the molecular formula C2H7NO6P2+2 and a molecular weight of 203.03 g/mol. Its IUPAC name is hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium
PubChem CID118465860
Molecular FormulaC2H7NO6P2+2
Molecular Weight203.03 g/mol
Exact Mass202.97
IUPAC Namehydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium
SMILESCNC(O[P+](=O)O)O[P+](=O)O
InChIInChI=1S/C2H5NO6P2/c1-3-2(8-10(4)5)9-11(6)7/h2-3H,1H3/p+2
InChIKeyBZPLGBVUIKTOIL-UHFFFAOYSA-P
XLogP-0.18
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium?
The IUPAC name of hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium (CID 118465860) is hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium is CNC(O[P+](=O)O)O[P+](=O)O.
What is the InChIKey of hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium?
The InChIKey is BZPLGBVUIKTOIL-UHFFFAOYSA-P. The full InChI is InChI=1S/C2H5NO6P2/c1-3-2(8-10(4)5)9-11(6)7/h2-3H,1H3/p+2.
What are the key properties of hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium?
hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium has a molecular weight of 203.03 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[hydroxy(oxo)phosphaniumyl]oxy-(methylamino)methoxy]-oxophosphanium is sourced from PubChem (CID 118465860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).