hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium

C2H7NO6P2+2 — CID 87422225

IUPAChydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium
SMILESO=[P+](O)OCNCO[P+](=O)O
InChIInChI=1S/C2H5NO6P2/c4-10(5)8-1-3-2-9-11(6)7/h3H,1-2H2/p+2
InChIKeyVRBVCWQRJBRLOM-UHFFFAOYSA-P
MW203.03 g/mol
LogP-0.18
Rot. Bonds6

About hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium

hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium (PubChem CID 87422225) has the molecular formula C2H7NO6P2+2 and a molecular weight of 203.03 g/mol. Its IUPAC name is hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium
PubChem CID87422225
Molecular FormulaC2H7NO6P2+2
Molecular Weight203.03 g/mol
Exact Mass202.97
IUPAC Namehydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium
SMILESO=[P+](O)OCNCO[P+](=O)O
InChIInChI=1S/C2H5NO6P2/c4-10(5)8-1-3-2-9-11(6)7/h3H,1-2H2/p+2
InChIKeyVRBVCWQRJBRLOM-UHFFFAOYSA-P
XLogP-0.18
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]oxymethylamino]methoxy]-oxophosphanium?
The IUPAC name of hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium (CID 87422225) is hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium is O=[P+](O)OCNCO[P+](=O)O.
What is the InChIKey of hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium?
The InChIKey is VRBVCWQRJBRLOM-UHFFFAOYSA-P. The full InChI is InChI=1S/C2H5NO6P2/c4-10(5)8-1-3-2-9-11(6)7/h3H,1-2H2/p+2.
What are the key properties of hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium?
hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium has a molecular weight of 203.03 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[[hydroxy(oxo)phosphaniumyl]oxymethylamino]methoxy]-oxophosphanium is sourced from PubChem (CID 87422225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).